[(5E)-5-[[2-(hydroxymethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] ethanoate

Systemtic Name: [(5E)-5-[[2-(hydroxymethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] ethanoate Openeye Name: [(2E)-2-[[2-(hydroxymethyl)phenyl]methylene]-8-methoxy-1-(3-phenylsulfanylprop-1-ynyl)oct-3-ynyl] acetate CAS Name: acetic acid [(5E)-5-[[2-(hydroxymethyl)phenyl]methylidene]-11-methoxy-1-(phenylthio)undeca-2,6-diyn-4-yl] ester IUPAC Name: [(5E)-5-[[2-(hydroxymethyl)phenyl]methylidene]-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-yl] acetate Traditional Name: acetic acid [(2E)-8-methoxy-2-(2-methylolbenzylidene)-1-[3-(phenylthio)prop-1-ynyl]oct-3-ynyl] ester Formula: C28H30O4S MolecularWeight: 462.6004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCSC1=CC=CC=C1)C(=CC2=CC=CC=C2CO)C#CCCCCOC

Isomeric SMILES

CC(=O)OC(C#CCSC1=CC=CC=C1)/C(=C/C2=CC=CC=C2CO)/C#CCCCCOC

InChI

InChI=1S/C28H30O4S/c1-23(30)32-28(18-12-20-33-27-16-7-5-8-17-27)25(14-6-3-4-11-19-31-2)21-24-13-9-10-15-26(24)22-29/h5,7-10,13,15-17,21,28-29H,3-4,11,19-20,22H2,1-2H3/b25-21+