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

Systemtic Name: [(2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] 2-methoxyethanoate Openeye Name: [(2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(2E)-8-methoxy-1-(4-methoxyphenyl)-2-[4-(phenylthio)but-2-ynylidene]oct-3-ynyl] ester IUPAC Name: [(2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(E)-2-(6-methoxyhex-1-ynyl)-1-(4-methoxyphenyl)-6-(phenylthio)hex-2-en-4-ynyl] ester Formula: C29H32O5S MolecularWeight: 492.62638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32O5S/c1-31-21-11-5-4-7-13-24(14-10-12-22-35-27-15-8-6-9-16-27)29(34-28(30)23-32-2)25-17-19-26(33-3)20-18-25/h6,8-9,14-20,29H,4-5,11,21-23H2,1-3H3/b24-14+