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

Systemtic Name: (5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-phenylsulfanyl-undeca-2,6-diyn-4-ol Openeye Name: (5E)-11-methoxy-5-[(4-methoxyphenyl)methylene]-1-phenylsulfanyl-undeca-2,6-diyn-4-ol CAS Name: (5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-(phenylthio)-4-undeca-2,6-diynol IUPAC Name: (5E)-11-methoxy-5-[(4-methoxyphenyl)methylidene]-1-phenylsulfanylundeca-2,6-diyn-4-ol Traditional Name: (5E)-11-methoxy-5-p-anisylidene-1-(phenylthio)undeca-2,6-diyn-4-ol Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O3S/c1-28-19-9-4-3-6-11-23(21-22-15-17-24(29-2)18-16-22)26(27)14-10-20-30-25-12-7-5-8-13-25/h5,7-8,12-13,15-18,21,26-27H,3-4,9,19-20H2,1-2H3/b23-21+