5-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfooxy-benzoic acid

Systemtic Name: 5-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfooxy-benzoic acid Openeye Name: 5-[(2E)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfooxy-benzoic acid CAS Name: 5-[(2E)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfooxybenzoic acid IUPAC Name: 5-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfooxybenzoic acid Traditional Name: 5-[(N'E)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfoxy-benzoic acid Formula: C14H10N2O9S MolecularWeight: 382.3022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)O)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H10N2O9S/c17-11-3-1-7(5-9(11)13(18)19)15-16-8-2-4-12(25-26(22,23)24)10(6-8)14(20)21/h1-6,16H,(H,18,19)(H,20,21)(H,22,23,24)/b15-7+