[3,3-dimethyl-2-(phenylmethoxymethyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-dimethyl-2-(phenylmethoxymethyl)butyl] 4-methylbenzenesulfonate Openeye Name: [2-(benzyloxymethyl)-3,3-dimethyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-dimethyl-2-(phenylmethoxymethyl)butyl] ester IUPAC Name: [3,3-dimethyl-2-(phenylmethoxymethyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(benzoxymethyl)-3,3-dimethyl-butyl] ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COCC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COCC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C21H28O4S/c1-17-10-12-20(13-11-17)26(22,23)25-16-19(21(2,3)4)15-24-14-18-8-6-5-7-9-18/h5-13,19H,14-16H2,1-4H3