Acid Green 9
PubChem CID: 25021982
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| Compound Synonyms | Acid green 9, 4857-81-2, Indigo Green B, ALIZARIN GREEN, Milling Green, Erio Viridine B, C.I. Acid Green 9, Airedale Green B, Fenazo Green XG, Folan Green B, Kiton Green B, Night Green A, Acid Brilliant Green 6B, Merantine Green B, Leather Green 6B, Disulphine Green B, Neptune Green SGXA, Erio green, Bucacid Fast Green B, Hidacid Fast Green B, Xylene Fast Green 6B, Amacid Milling Green B, Brilliant Acid Green B, Acid Leather Green KGB, Brilliant Acid Green 6B, Xylene Milling Green 6B, Brilliant Milling Green B, Cetil Brilliant Green 6B, Milling Brilliant Green B, Acilan Brilliant Green 6B, Calcocid Milling Green 6B, Brilliant Milling Green NS, Eriogreen, Brilliant Acid Green, 350YUK2Q7J, Aizen Brilliant Acid Green 6BH, Mitsui Brilliant Milling Green BX, C.I. Acid Green 9, sodium salt, C.I. 42100, Sumitomo Brilliant Milling Green B, NSC 4319, NSC 8683, EINECS 225-458-0, NSC 51540, C.I. Acid Green 9, monosodium salt, Aizen Brilliant Acid Green 6BH Extra, CI 42100, Fast Acid Green B (Biological Stain) (VAN), NSC-4319, NSC-8683, NSC-51540, sodium, 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate, Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1), Sodium 3-(((4-((2-chlorophenyl)(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate, Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt, Hydrogen (4-((2-chlorophenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt, Hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt, Hydrogen 4-(2-chlorophenyl)4-Ethyl(3-sulphonatobenzyl)aminophenylmethylenecyclohexa-2,5-dien-1-ylidene(ethyl)(3-sulphonatobe nzyl)ammonium sodium salt, Fast Acid Green B (Biological Stain), Brilliant Milling Green, Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt, Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1), UNII-350YUK2Q7J, DTXSID50881402, SHBDDIJUSNNBLQ-UHFFFAOYSA-M, MFCD00050440, AKOS015916657, AC-20177, B0791, Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2 ,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt, sodium 3-(((4-((E)-(2-chlorophenyl)((E)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)phenyl)(ethyl)amino)methyl)benzenesulfonate, sodium 3-[({4-[(2-chlorophenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]phenyl}(ethyl)amino)methyl]benzenesulfonate |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 49.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate |
| Prediction Hob | 0.0 |
| Molecular Formula | C37H34ClN2NaO6S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHBDDIJUSNNBLQ-UHFFFAOYSA-M |
| Fcsp3 | 0.1621621621621621 |
| Logs | -3.292 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.384 |
| Compound Name | Acid Green 9 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 724.144 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 724.144 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 725.2 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46, /h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46), /q, +1/p-1 |
| Smiles | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5Cl.[Na+] |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asperula Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Cairica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubia Tinctorum (Plant) Rel Props:Source_db:cmaup_ingredients