[2-(3-methylbutan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylbutan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,2-dimethylpropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylbutan-2-yl)phenyl] ester IUPAC Name: [2-(3-methylbutan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,2-dimethylpropyl)phenyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)C(C)C

InChI

InChI=1S/C18H22O3S/c1-13(2)15(4)17-7-5-6-8-18(17)21-22(19,20)16-11-9-14(3)10-12-16/h5-13,15H,1-4H3