2-(hydroxymethyl)hexyl benzenesulfonate

Systemtic Name: 2-(hydroxymethyl)hexyl benzenesulfonate Openeye Name: 2-(hydroxymethyl)hexyl benzenesulfonate CAS Name: benzenesulfonic acid 2-(hydroxymethyl)hexyl ester IUPAC Name: 2-(hydroxymethyl)hexyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-methylolhexyl ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)COS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(CO)COS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H20O4S/c1-2-3-7-12(10-14)11-17-18(15,16)13-8-5-4-6-9-13/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3