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

Systemtic Name: [(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene Openeye Name: [(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene CAS Name: [(2E)-8-methoxy-2-[4-(phenylthio)but-2-ynylidene]-1-(trideuteriomethoxy)oct-3-ynyl]benzene IUPAC Name: [(2E)-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)-1-(trideuteriomethoxy)oct-3-ynyl]benzene Traditional Name: [(E)-2-(6-methoxyhex-1-ynyl)-6-(phenylthio)-1-(trideuteriomethoxy)hex-2-en-4-ynyl]benzene Formula: C26H28O2S MolecularWeight: 407.582805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O2S/c1-27-21-13-4-3-7-15-24(26(28-2)23-16-8-5-9-17-23)18-12-14-22-29-25-19-10-6-11-20-25/h5-6,8-11,16-20,26H,3-4,13,21-22H2,1-2H3/b24-18+/i2D3