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2,3-dioctadecylbenzenesulfonic acid

2,3-dioctadecylbenzenesulfonic acid

Systemtic Name:2,3-dioctadecylbenzenesulfonic acid
Openeye Name:2,3-dioctadecylbenzenesulfonic acid
CAS Name:2,3-dioctadecylbenzenesulfonic acid
IUPAC Name:2,3-dioctadecylbenzenesulfonic acid
Traditional Name:2,3-distearylbesylic acid
Formula: C42H78O3S
MolecularWeight: 663.13192
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCCCCCCCC


InChI

InChI=1S/C42H78O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-37-35-39-42(46(43,44)45)41(40)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37,39H,3-34,36,38H2,1-2H3,(H,43,44,45)


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