octadecyl 4-methylbenzenesulfonate

Systemtic Name: octadecyl 4-methylbenzenesulfonate Openeye Name: octadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid octadecyl ester IUPAC Name: octadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid stearyl ester Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-29(26,27)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3