[(E,2S,3R)-4-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenyl-pent-4-en-2-yl] benzoate

Systemtic Name: [(E,2S,3R)-4-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenyl-pent-4-en-2-yl] benzoate Openeye Name: [(E,1S,2R)-1,3-dimethyl-4-phenyl-2-(p-tolylsulfonyloxy)but-3-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-4-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylpent-4-en-2-yl] ester IUPAC Name: [(E,2S,3R)-4-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylpent-4-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,2R)-1,3-dimethyl-4-phenyl-2-tosyloxy-but-3-enyl] ester Formula: C26H26O5S MolecularWeight: 450.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)OC(=O)C2=CC=CC=C2)C(=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]([C@H](C)OC(=O)C2=CC=CC=C2)/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C26H26O5S/c1-19-14-16-24(17-15-19)32(28,29)31-25(20(2)18-22-10-6-4-7-11-22)21(3)30-26(27)23-12-8-5-9-13-23/h4-18,21,25H,1-3H3/b20-18+/t21-,25+/m0/s1