[4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H28O3S/c1-16-7-13-19(14-8-16)25(22,23)24-18-11-9-17(10-12-18)21(5,6)15-20(2,3)4/h7-14H,15H2,1-6H3