[2-methyl-3-(3-phenylmethoxyphenyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-3-(3-phenylmethoxyphenyl)propyl] 4-methylbenzenesulfonate Openeye Name: [3-(3-benzyloxyphenyl)-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-3-(3-phenylmethoxyphenyl)propyl] ester IUPAC Name: [2-methyl-3-(3-phenylmethoxyphenyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3-benzoxyphenyl)-2-methyl-propyl] ester Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26O4S/c1-19-11-13-24(14-12-19)29(25,26)28-17-20(2)15-22-9-6-10-23(16-22)27-18-21-7-4-3-5-8-21/h3-14,16,20H,15,17-18H2,1-2H3