2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonate

Systemtic Name: 2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonate Openeye Name: 2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonate CAS Name: 2-hexadecyl-4-methyl-6-octadecylbenzenesulfonate IUPAC Name: 2-hexadecyl-4-methyl-6-octadecylbenzenesulfonate Traditional Name: 2-cetyl-4-methyl-6-stearyl-besylate Formula: C41H75O3S- MolecularWeight: 648.0974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1S(=O)(=O)[O-])CCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1S(=O)(=O)[O-])CCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C41H76O3S/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-40-37-38(3)36-39(41(40)45(42,43)44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h36-37H,4-35H2,1-3H3,(H,42,43,44)/p-1