[(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] benzoate

Systemtic Name: [(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] benzoate Openeye Name: [(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] benzoate CAS Name: benzoic acid [(2E)-8-methoxy-1-phenyl-2-[4-(phenylthio)but-2-ynylidene]oct-3-ynyl] ester IUPAC Name: [(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] benzoate Traditional Name: benzoic acid [(E)-2-(6-methoxyhex-1-ynyl)-1-phenyl-6-(phenylthio)hex-2-en-4-ynyl] ester Formula: C32H30O3S MolecularWeight: 494.6438

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC#CCSC1=CC=CC=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCCC#C/C(=C\C#CCSC1=CC=CC=C1)/C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C32H30O3S/c1-34-25-15-3-2-7-17-28(20-14-16-26-36-30-23-12-6-13-24-30)31(27-18-8-4-9-19-27)35-32(33)29-21-10-5-11-22-29/h4-6,8-13,18-24,31H,2-3,15,25-26H2,1H3/b28-20+