[(5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] 2-methoxyethanoate

Systemtic Name: [(5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-phenylsulfanyl-undeca-2,6-diyn-4-yl] 2-methoxyethanoate Openeye Name: [(2E)-8-methoxy-2-[(4-methoxyphenyl)methylene]-1-(3-phenylsulfanylprop-1-ynyl)oct-3-ynyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-(phenylthio)undeca-2,6-diyn-4-yl] ester IUPAC Name: [(5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-phenylsulfanylundeca-2,6-diyn-4-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(2E)-8-methoxy-2-p-anisylidene-1-[3-(phenylthio)prop-1-ynyl]oct-3-ynyl] ester Formula: C29H32O5S MolecularWeight: 492.62638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32O5S/c1-31-20-10-5-4-7-12-25(22-24-16-18-26(33-3)19-17-24)28(34-29(30)23-32-2)15-11-21-35-27-13-8-6-9-14-27/h6,8-9,13-14,16-19,22,28H,4-5,10,20-21,23H2,1-3H3/b25-22+