methyl (2E,4Z)-4,5-bis(4-chlorophenyl)-6-phenylsulfanyl-hexa-2,4-dienoate

Systemtic Name: methyl (2E,4Z)-4,5-bis(4-chlorophenyl)-6-phenylsulfanyl-hexa-2,4-dienoate Openeye Name: methyl (2E,4Z)-4,5-bis(4-chlorophenyl)-6-phenylsulfanyl-hexa-2,4-dienoate CAS Name: (2E,4Z)-4,5-bis(4-chlorophenyl)-6-(phenylthio)hexa-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4Z)-4,5-bis(4-chlorophenyl)-6-phenylsulfanylhexa-2,4-dienoate Traditional Name: (2E,4Z)-4,5-bis(4-chlorophenyl)-6-(phenylthio)hexa-2,4-dienoic acid methyl ester Formula: C25H20Cl2O2S MolecularWeight: 455.3961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=C(CSC1=CC=CC=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)/C=C/C(=C(/CSC1=CC=CC=C1)\C2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H20Cl2O2S/c1-29-25(28)16-15-23(18-7-11-20(26)12-8-18)24(19-9-13-21(27)14-10-19)17-30-22-5-3-2-4-6-22/h2-16H,17H2,1H3/b16-15+,24-23+