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2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonic acid

2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonic acid

Systemtic Name:2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonic acid
Openeye Name:2-hexadecyl-4-methyl-6-octadecyl-benzenesulfonic acid
CAS Name:2-hexadecyl-4-methyl-6-octadecylbenzenesulfonic acid
IUPAC Name:2-hexadecyl-4-methyl-6-octadecylbenzenesulfonic acid
Traditional Name:2-cetyl-4-methyl-6-stearyl-besylic acid
Formula: C41H76O3S
MolecularWeight: 649.10534
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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)


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