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

Systemtic Name: 3-methylhexyl 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Openeye Name: 3-methylhexyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate CAS Name: 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonic acid 3-methylhexyl ester IUPAC Name: 3-methylhexyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Traditional Name: 4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid 3-methylhexyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCC(C)CCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C20H25NO4S/c1-3-4-16(2)13-14-25-26(23,24)20-11-7-18(8-12-20)21-15-17-5-9-19(22)10-6-17/h5-12,15-16,21H,3-4,13-14H2,1-2H3