hexyl 4-methylbenzenesulfonate

Systemtic Name: hexyl 4-methylbenzenesulfonate Openeye Name: hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid hexyl ester IUPAC Name: hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid hexyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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