pentyl phenylmethanesulfonate

Systemtic Name: pentyl phenylmethanesulfonate Openeye Name: pentyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid pentyl ester IUPAC Name: pentyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid amyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCOS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H18O3S/c1-2-3-7-10-15-16(13,14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3