heptyl benzenesulfonate

Systemtic Name: heptyl benzenesulfonate Openeye Name: heptyl benzenesulfonate CAS Name: benzenesulfonic acid heptyl ester IUPAC Name: heptyl benzenesulfonate Traditional Name: benzenesulfonic acid heptyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H20O3S/c1-2-3-4-5-9-12-16-17(14,15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3