hexyl 3-methylbenzenesulfonate

Systemtic Name: hexyl 3-methylbenzenesulfonate Openeye Name: hexyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid hexyl ester IUPAC Name: hexyl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid hexyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)C1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCOS(=O)(=O)C1=CC=CC(=C1)C

InChI

InChI=1S/C13H20O3S/c1-3-4-5-6-10-16-17(14,15)13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3