[2-methyl-3-(4-phenylphenyl)carbonyl-cyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-3-(4-phenylphenyl)carbonyl-cyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-methyl-3-(4-phenylbenzoyl)cyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-3-[oxo-(4-phenylphenyl)methyl]cyclopentyl]methyl ester IUPAC Name: [2-methyl-3-(4-phenylbenzoyl)cyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-3-(4-phenylbenzoyl)cyclopentyl]methyl ester Formula: C27H28O4S MolecularWeight: 448.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1C(CCC1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H28O4S/c1-19-8-15-25(16-9-19)32(29,30)31-18-24-14-17-26(20(24)2)27(28)23-12-10-22(11-13-23)21-6-4-3-5-7-21/h3-13,15-16,20,24,26H,14,17-18H2,1-2H3