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

Systemtic Name: 4-[(2E)-2-(3-methoxycarbonyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(3-methoxycarbonyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(3-methoxycarbonyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3-methoxycarbonyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(3-carbomethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=O

Isomeric SMILES

COC(=O)C1=C/C(=N/NC2=CC=C(C=C2)S(=O)(=O)O)/C=CC1=O

InChI

InChI=1S/C14H12N2O6S/c1-22-14(18)12-8-10(4-7-13(12)17)16-15-9-2-5-11(6-3-9)23(19,20)21/h2-8,15H,1H3,(H,19,20,21)/b16-10+