octyl phenylmethanesulfonate

Systemtic Name: octyl phenylmethanesulfonate Openeye Name: octyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid octyl ester IUPAC Name: octyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid octyl ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C15H24O3S/c1-2-3-4-5-6-10-13-18-19(16,17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3