2-methylpropyl 4-methylbenzenesulfonate

Systemtic Name: 2-methylpropyl 4-methylbenzenesulfonate Openeye Name: isobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid isobutyl ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O3S/c1-9(2)8-14-15(12,13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3