hexan-2-yl benzenesulfonate

Systemtic Name: hexan-2-yl benzenesulfonate Openeye Name: 1-methylpentyl benzenesulfonate CAS Name: benzenesulfonic acid hexan-2-yl ester IUPAC Name: hexan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid 1-methylpentyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(C)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H18O3S/c1-3-4-8-11(2)15-16(13,14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3