2-methylpropyl 4-methylbenzenesulfinate

Systemtic Name: 2-methylpropyl 4-methylbenzenesulfinate Openeye Name: isobutyl 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid isobutyl ester Formula: C11H16O2S MolecularWeight: 212.30854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O2S/c1-9(2)8-13-14(12)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3