[(5E)-11-methoxy-5-(phenylmethylidene)-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] benzoate

Systemtic Name: [(5E)-11-methoxy-5-(phenylmethylidene)-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] benzoate Openeye Name: [(2E)-2-benzylidene-8-methoxy-1-(3-phenylsulfanylprop-1-ynyl)oct-3-ynyl] benzoate CAS Name: benzoic acid [(5E)-11-methoxy-5-(phenylmethylene)-1-(phenylthio)undeca-2,6-diyn-4-yl] ester IUPAC Name: [(5E)-5-benzylidene-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-yl] benzoate Traditional Name: benzoic acid [(2E)-2-benzal-8-methoxy-1-[3-(phenylthio)prop-1-ynyl]oct-3-ynyl] ester Formula: C32H30O3S MolecularWeight: 494.6438

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC1=CC=CC=C1)C(C#CCSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCCC#C/C(=C\C1=CC=CC=C1)/C(C#CCSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C32H30O3S/c1-34-24-14-3-2-9-20-29(26-27-16-7-4-8-17-27)31(35-32(33)28-18-10-5-11-19-28)23-15-25-36-30-21-12-6-13-22-30/h4-8,10-13,16-19,21-22,26,31H,2-3,14,24-25H2,1H3/b29-26+