hexyl phenylmethanesulfonate

Systemtic Name: hexyl phenylmethanesulfonate Openeye Name: hexyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid hexyl ester IUPAC Name: hexyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid hexyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCOS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H20O3S/c1-2-3-4-8-11-16-17(14,15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3