octadecyl 1-(4-methylphenyl)ethanesulfonate

Systemtic Name: octadecyl 1-(4-methylphenyl)ethanesulfonate Openeye Name: octadecyl 1-(p-tolyl)ethanesulfonate CAS Name: 1-(4-methylphenyl)ethanesulfonic acid octadecyl ester IUPAC Name: octadecyl 1-(4-methylphenyl)ethanesulfonate Traditional Name: 1-(p-tolyl)ethanesulfonic acid stearyl ester Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C(C)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C(C)C1=CC=C(C=C1)C

InChI

InChI=1S/C27H48O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-31(28,29)26(3)27-22-20-25(2)21-23-27/h20-23,26H,4-19,24H2,1-3H3