[3-(5-tert-butyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(5-tert-butyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(5-tert-butyl-2-methoxy-phenyl)-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(5-tert-butyl-2-methoxyphenyl)-3-phenylpropyl] ester IUPAC Name: [3-(5-tert-butyl-2-methoxyphenyl)-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(5-tert-butyl-2-methoxy-phenyl)-3-phenyl-propyl] ester Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O4S/c1-20-11-14-23(15-12-20)32(28,29)31-18-17-24(21-9-7-6-8-10-21)25-19-22(27(2,3)4)13-16-26(25)30-5/h6-16,19,24H,17-18H2,1-5H3