[(E)-(5-methoxycyclohexa-2,4-dien-1-ylidene)amino] 2-dodecylbenzenesulfonate

Systemtic Name: [(E)-(5-methoxycyclohexa-2,4-dien-1-ylidene)amino] 2-dodecylbenzenesulfonate Openeye Name: [(E)-(5-methoxycyclohexa-2,4-dien-1-ylidene)amino] 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonic acid [(E)-(5-methoxy-1-cyclohexa-2,4-dienylidene)amino] ester IUPAC Name: [(E)-(5-methoxycyclohexa-2,4-dien-1-ylidene)amino] 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbenzenesulfonic acid [(E)-(5-methoxycyclohexa-2,4-dien-1-ylidene)amino] ester Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)ON=C2CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O/N=C/2\CC(=CC=C2)OC

InChI

InChI=1S/C25H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-16-22-17-13-14-20-25(22)31(27,28)30-26-23-18-15-19-24(21-23)29-2/h13-15,17-20H,3-12,16,21H2,1-2H3/b26-23-