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

Systemtic Name: 4-[(2E)-2-[4-oxidanylidene-3-(2-sulfoethylcarbamoyl)cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[4-oxo-3-(2-sulfoethylcarbamoyl)cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[4-oxo-3-[oxo-(2-sulfoethylamino)methyl]-1-cyclohexa-2,5-dienylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[4-oxo-3-(2-sulfoethylcarbamoyl)cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[4-keto-3-(2-sulfoethylcarbamoyl)cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid Formula: C16H15N3O7S MolecularWeight: 393.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C16H15N3O7S/c20-14-6-5-12(9-13(14)15(21)17-7-8-27(24,25)26)19-18-11-3-1-10(2-4-11)16(22)23/h1-6,9,18H,7-8H2,(H,17,21)(H,22,23)(H,24,25,26)/b19-12+