2-hexadecan-2-yl-4-methyl-benzenesulfonate

Systemtic Name: 2-hexadecan-2-yl-4-methyl-benzenesulfonate Openeye Name: 4-methyl-2-(1-methylpentadecyl)benzenesulfonate CAS Name: 2-hexadecan-2-yl-4-methylbenzenesulfonate IUPAC Name: 2-hexadecan-2-yl-4-methylbenzenesulfonate Traditional Name: 4-methyl-2-(1-methylpentadecyl)besylate Formula: C23H39O3S- MolecularWeight: 395.61896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1)C)S(=O)(=O)[O-]

InChI

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