4-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid Openeye Name: 4-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid CAS Name: 4-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonic acid IUPAC Name: 4-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid Traditional Name: 4-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]besylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=O

Isomeric SMILES

COC1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=O

InChI

InChI=1S/C14H13NO5S/c1-20-14-8-10(2-7-13(14)16)9-15-11-3-5-12(6-4-11)21(17,18)19/h2-9,15H,1H3,(H,17,18,19)