[2-[2-[(2,6-dimethylphenyl)methoxymethyl]phenyl]-2-methyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-[(2,6-dimethylphenyl)methoxymethyl]phenyl]-2-methyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-[(2,6-dimethylphenyl)methoxymethyl]phenyl]-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-[(2,6-dimethylphenyl)methoxymethyl]phenyl]-2-methylpropyl] ester IUPAC Name: [2-[2-[(2,6-dimethylphenyl)methoxymethyl]phenyl]-2-methylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-[(2,6-dimethylbenzyl)oxymethyl]phenyl]-2-methyl-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)OCC(C)(C)C2=CC=CC=C2COCC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2COCC3=C(C=CC=C3C)C

InChI

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