Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
FD&C Blue No. 2 / CI Food blue 1 / Sodium indigotindisulfonate 860-22-0 9933195

Structure Other Information
Canonical SMILES C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)N2.[Na+]
Iso SMILES C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C/3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)/N2.[Na+]
InChI InChI=1S/C16H10N2O8S2.Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+1/b14-13-;
InChI Key QCHDYDABSYZDLZ-HPWRNOGASA-N
Formula C16H10N2NaO8S2+
Mol Weight 445.379
XlogP3 0
Charge 1

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Synonyms Information
CAS Name sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
IUPAC Name sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-indolin-2-ylidene)indoline-5-sulfonic acid
Openeye Name sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
Systematic Name sodium (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
Tratitional Name sodium (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid