[(5E)-11-methoxy-5-(phenylmethylidene)-4-(trideuteriomethoxy)undeca-2,6-diynyl]sulfanylbenzene

Systemtic Name: [(5E)-11-methoxy-5-(phenylmethylidene)-4-(trideuteriomethoxy)undeca-2,6-diynyl]sulfanylbenzene Openeye Name: [(5E)-5-benzylidene-11-methoxy-4-(trideuteriomethoxy)undeca-2,6-diynyl]sulfanylbenzene CAS Name: [[(5E)-11-methoxy-5-(phenylmethylene)-4-(trideuteriomethoxy)undeca-2,6-diynyl]thio]benzene IUPAC Name: [(5E)-5-benzylidene-11-methoxy-4-(trideuteriomethoxy)undeca-2,6-diynyl]sulfanylbenzene Traditional Name: [[(5E)-5-benzal-11-methoxy-4-(trideuteriomethoxy)undeca-2,6-diynyl]thio]benzene Formula: C26H28O2S MolecularWeight: 407.582805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])OC(C#CCSC1=CC=CC=C1)/C(=C/C2=CC=CC=C2)/C#CCCCCOC

InChI

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