(2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol

Systemtic Name: (2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol Openeye Name: (2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol CAS Name: (2E)-8-methoxy-1-(4-methoxyphenyl)-2-[4-(phenylthio)but-2-ynylidene]-3-octyn-1-ol IUPAC Name: (2E)-8-methoxy-1-(4-methoxyphenyl)-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol Traditional Name: (E)-2-(6-methoxyhex-1-ynyl)-1-(4-methoxyphenyl)-6-(phenylthio)hex-2-en-4-yn-1-ol Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O3S/c1-28-20-10-4-3-6-12-22(26(27)23-16-18-24(29-2)19-17-23)13-9-11-21-30-25-14-7-5-8-15-25/h5,7-8,13-19,26-27H,3-4,10,20-21H2,1-2H3/b22-13+