phenyl 3-tert-butyl-5-(4-methylphenyl)sulfonyloxy-1-phenyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 3-tert-butyl-5-(4-methylphenyl)sulfonyloxy-1-phenyl-cyclohexane-1-carboxylate Openeye Name: phenyl 3-tert-butyl-1-phenyl-5-(p-tolylsulfonyloxy)cyclohexanecarboxylate CAS Name: 3-tert-butyl-5-(4-methylphenyl)sulfonyloxy-1-phenyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 3-tert-butyl-5-(4-methylphenyl)sulfonyloxy-1-phenylcyclohexane-1-carboxylate Traditional Name: 3-tert-butyl-1-phenyl-5-tosyloxy-cyclohexanecarboxylic acid phenyl ester Formula: C30H34O5S MolecularWeight: 506.65296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C30H34O5S/c1-22-15-17-27(18-16-22)36(32,33)35-26-19-24(29(2,3)4)20-30(21-26,23-11-7-5-8-12-23)28(31)34-25-13-9-6-10-14-25/h5-18,24,26H,19-21H2,1-4H3