hexadecan-2-yl 4-methylbenzenesulfonate

Systemtic Name: hexadecan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-methylpentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid hexadecan-2-yl ester IUPAC Name: hexadecan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-methylpentadecyl ester Formula: C23H40O3S MolecularWeight: 396.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C23H40O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(3)26-27(24,25)23-19-17-21(2)18-20-23/h17-20,22H,4-16H2,1-3H3