6-acetyloxyhexyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate

Systemtic Name: 6-acetyloxyhexyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate Openeye Name: 6-acetoxyhexyl (Z)-4-acetoxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate CAS Name: (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid 6-acetyloxyhexyl ester IUPAC Name: 6-acetyloxyhexyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate Traditional Name: (Z)-4-acetoxy-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid 6-acetoxyhexyl ester Formula: C27H32O8S MolecularWeight: 516.60318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCOC(=O)C(=C(COC(=O)C)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCCCCCCOC(=O)/C(=C(\COC(=O)C)/C1=CC=C(C=C1)S(=O)(=O)C)/C2=CC=CC=C2

InChI

InChI=1S/C27H32O8S/c1-20(28)33-17-9-4-5-10-18-34-27(30)26(23-11-7-6-8-12-23)25(19-35-21(2)29)22-13-15-24(16-14-22)36(3,31)32/h6-8,11-16H,4-5,9-10,17-19H2,1-3H3/b26-25+