octyl 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate

Systemtic Name: octyl 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Openeye Name: octyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate CAS Name: 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonic acid octyl ester IUPAC Name: octyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Traditional Name: 4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid octyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C21H27NO4S/c1-2-3-4-5-6-7-16-26-27(24,25)21-14-10-19(11-15-21)22-17-18-8-12-20(23)13-9-18/h8-15,17,22H,2-7,16H2,1H3