Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
FD&C Blue No. 2 / CI Food blue 1 483-20-5 5282430

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
Iso SMILES C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C3/C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)/N2
InChI InChI=1S/C16H10N2O8S2/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)/b14-13+
InChI Key CFZXDJWFRVEWSR-BUHFOSPRSA-N
Formula C16H10N2O8S2
Mol Weight 422.389
XlogP3 1.2
Charge 0

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