3-hexadecyl-4-methyl-benzenesulfonate

Systemtic Name: 3-hexadecyl-4-methyl-benzenesulfonate Openeye Name: 3-hexadecyl-4-methyl-benzenesulfonate CAS Name: 3-hexadecyl-4-methylbenzenesulfonate IUPAC Name: 3-hexadecyl-4-methylbenzenesulfonate Traditional Name: 3-cetyl-4-methyl-besylate Formula: C23H39O3S- MolecularWeight: 395.61896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C23H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-23(27(24,25)26)19-18-21(22)2/h18-20H,3-17H2,1-2H3,(H,24,25,26)/p-1