methyl (E)-4-[bis(4-methylphenyl)methylidene]-6-phenylsulfanyl-hex-2-enoate

Systemtic Name: methyl (E)-4-[bis(4-methylphenyl)methylidene]-6-phenylsulfanyl-hex-2-enoate Openeye Name: methyl (E)-4-(bis-p-tolylmethylene)-6-phenylsulfanyl-hex-2-enoate CAS Name: (E)-4-[bis(4-methylphenyl)methylidene]-6-(phenylthio)-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-4-[bis(4-methylphenyl)methylidene]-6-phenylsulfanylhex-2-enoate Traditional Name: (2E)-4-[2-(phenylthio)ethyl]-5,5-bis(p-tolyl)penta-2,4-dienoic acid methyl ester Formula: C28H28O2S MolecularWeight: 428.58572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(CCSC2=CC=CC=C2)C=CC(=O)OC)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(CCSC2=CC=CC=C2)/C=C/C(=O)OC)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H28O2S/c1-21-9-13-23(14-10-21)28(24-15-11-22(2)12-16-24)25(17-18-27(29)30-3)19-20-31-26-7-5-4-6-8-26/h4-18H,19-20H2,1-3H3/b18-17+