pentadecyl (2-methylphenyl)methanesulfonate

Systemtic Name: pentadecyl (2-methylphenyl)methanesulfonate Openeye Name: pentadecyl o-tolylmethanesulfonate CAS Name: (2-methylphenyl)methanesulfonic acid pentadecyl ester IUPAC Name: pentadecyl (2-methylphenyl)methanesulfonate Traditional Name: o-tolylmethanesulfonic acid pentadecyl ester Formula: C23H40O3S MolecularWeight: 396.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOS(=O)(=O)CC1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCOS(=O)(=O)CC1=CC=CC=C1C

InChI

InChI=1S/C23H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-27(24,25)21-23-19-16-15-18-22(23)2/h15-16,18-19H,3-14,17,20-21H2,1-2H3