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

Systemtic Name: 1-methoxy-4-[(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene Openeye Name: 1-methoxy-4-[(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene CAS Name: 1-methoxy-4-[(2E)-8-methoxy-2-[4-(phenylthio)but-2-ynylidene]-1-(trideuteriomethoxy)oct-3-ynyl]benzene IUPAC Name: 1-methoxy-4-[(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene Traditional Name: 1-methoxy-4-[(E)-2-(6-methoxyhex-1-ynyl)-6-(phenylthio)-1-(trideuteriomethoxy)hex-2-en-4-ynyl]benzene Formula: C27H30O3S MolecularWeight: 437.608785

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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

Isomeric SMILES

[2H]C([2H])([2H])OC(C1=CC=C(C=C1)OC)/C(=C/C#CCSC2=CC=CC=C2)/C#CCCCCOC

InChI

InChI=1S/C27H30O3S/c1-28-21-11-5-4-7-13-23(14-10-12-22-31-26-15-8-6-9-16-26)27(30-3)24-17-19-25(29-2)20-18-24/h6,8-9,14-20,27H,4-5,11,21-22H2,1-3H3/b23-14+/i3D3