butyl 3-methylbenzenesulfonate

Systemtic Name: butyl 3-methylbenzenesulfonate Openeye Name: butyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid butyl ester IUPAC Name: butyl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid butyl ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOS(=O)(=O)C1=CC=CC(=C1)C

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC=CC(=C1)C

InChI

InChI=1S/C11H16O3S/c1-3-4-8-14-15(12,13)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3