Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2)
PubChem CID: 12961638
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| Compound Synonyms | 16423-68-0, Erythrosin B, Erythrosine B, ERYTHROSINE, C.I. Acid Red 51, Erythrosine sodium (close form), Sodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate), Food Red No. 3, MFCD00144257, Erythrosin B disodium, C.I. Food Red 14, FD & C red no. 3, FD&C Red 3, DTXSID7021233, Erythrosine I, Erythrosine BS, Erythrosine TB, Erythrosine Lake, Erythrosine 3B, Maple erythrosine, Sodium erythrosin, Erythrosine Extra, Cilefa Pink B, Erythrosine Bluish, Erythrosine B Disodium Salt, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt, disodium, 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate, Dolkwal erythrosine, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt, Food Dye Red 3, Erythrosine TB Extra, FDC Red 3 dye, Usacert Red No. 3, Calcocid erythrosine N, Schultz No. 887, Erythrosin B disodium 100 microg/mL in Acetonitrile/Water, Hexacert Red No. 3, Hexacol erythrosine BS, FD and C Red 3, Erythrosin B, soldium salt, New Pink Bluish Geigy, Red Dye No. 3, Canacert erythrosine BS, DTXCID301030411, Erythrosine (indicator), Caswell No. 425AB, FDC Red 3, Erythrosine Extra Bluish, LB-Rot 1, Erythrosine Extra Pure A, D&C Red No. 3, Edicol Supra Erythrosin AS, Edicol Supra Erythrosine A, Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-j9-yl)-, disodium salt, Cerven kysela 51 [Czech], Cerven kysela 51, Sodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro-[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate), Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2), CCRIS 892, Dye FD and C Red No. 3, CAS-16423-68-0, Erythrosine B Disodium Salt (Technical Grade), Erythrosine B (biological stain), Cerven potravinarska 14 [Czech], Erythrosine Extra Conc. A Export, Cerven potravinarska 14, EINECS 240-474-8, Erythrosine B-FO (biological stain), Erythrosine K-FO (biological stain), Erythrosine bluish (biological stain), UNII-8TL7LH93FM, EPA Pesticide Chemical Code 120901, Eritrosina, Erythrosine sodium (close form) [USAN], AI3-09094, Disodium 2',4',5',7'-tetraiodofluorescein, E 127, HSDB 7974, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2), 9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate, Disodium 9-(O-carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthen-3-one monohydrate, SCHEMBL19080, Disodium 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, Erythrosin B, analytical standard, MSK2415, RAGZEDHHTPQLAI-UHFFFAOYSA-L, Tox21_202932, Tox21_302085, NSC 36685, AKOS015904033, AKOS016010498, ERYTHROSINE SODIUM (OPEN FORM), 1ST2415, FE44544, NSC 759227, Erythrosine sodium (open form) [USAN], NCGC00255371-01, NCGC00260478-01, 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'- -(9H)xanthen)-3-one, disodium salt, DA-73197, Erythrosin extra bluish (C.I. 45430), Erythrosin extra bluish, 87.0-100.0%, D92361, SBI-0654215.0001, 2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate, Erythrosin extra bluish, certified by the Biological Stain Commission, Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-, disodium salt, Erythrosin B, certified by the Biological Stain Commission, Dye content 90 %, Erythrosin extra bluish, for microscopy (Bact., Hist.), adsorption and fluorescent indicator, Fluorescein, 2',4',5',7'-tetraiodo-, disodium salt (Benzoic acid tautomeric form), Red No. 3, 2-(6-Hydroxy-2,4,5,7-tetraiodo-3-oxo-xanthen-9-yl)benzoic acid |
|---|---|
| Topological Polar Surface Area | 81.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | disodium, 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate |
| Prediction Hob | 0.0 |
| Molecular Formula | C20H6I4Na2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAGZEDHHTPQLAI-UHFFFAOYSA-L |
| Fcsp3 | 0.05 |
| Logs | -3.117 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.423 |
| Compound Name | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 879.619 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 879.619 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 879.9 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20, , /h1-6,25-26H, , /q, 2*+1/p-2 |
| Smiles | C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+] |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients