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

Systemtic Name: [2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]-2-methyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]-2-methylpropyl] ester IUPAC Name: [2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]-2-methylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(2,6-dimethylbenzyl)oxyphenyl]-2-methyl-propyl] ester Formula: C26H30O4S MolecularWeight: 438.579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2OCC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2OCC3=C(C=CC=C3C)C

InChI

InChI=1S/C26H30O4S/c1-19-13-15-22(16-14-19)31(27,28)30-18-26(4,5)24-11-6-7-12-25(24)29-17-23-20(2)9-8-10-21(23)3/h6-16H,17-18H2,1-5H3