[4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]phenyl] dodecane-1-sulfonate

Systemtic Name: [4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]phenyl] dodecane-1-sulfonate Openeye Name: [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]phenyl] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]phenyl] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid [4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]phenyl] ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C25H35NO4S/c1-2-3-4-5-6-7-8-9-10-11-20-31(28,29)30-25-18-14-23(15-19-25)26-21-22-12-16-24(27)17-13-22/h12-19,21,26H,2-11,20H2,1H3