4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid Openeye Name: 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid CAS Name: 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonic acid IUPAC Name: 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid Traditional Name: 4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]besylic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H11NO4S/c15-12-5-1-10(2-6-12)9-14-11-3-7-13(8-4-11)19(16,17)18/h1-9,14H,(H,16,17,18)