icosyl 2-methylbenzenesulfonate

Systemtic Name: icosyl 2-methylbenzenesulfonate Openeye Name: icosyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid eicosyl ester IUPAC Name: icosyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid arachyl ester Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1C

InChI

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