butyl 2-methylbenzenesulfonate

Systemtic Name: butyl 2-methylbenzenesulfonate Openeye Name: butyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid butyl ester IUPAC Name: butyl 2-methylbenzenesulfonate Traditional Name: 2-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=C1C

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC=CC=C1C

InChI

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