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(3-octadecylsulfonyloxyphenyl) octadecane-1-sulfonate

(3-octadecylsulfonyloxyphenyl) octadecane-1-sulfonate

Systemtic Name:(3-octadecylsulfonyloxyphenyl) octadecane-1-sulfonate
Openeye Name:(3-octadecylsulfonyloxyphenyl) octadecane-1-sulfonate
CAS Name:1-octadecanesulfonic acid
IUPAC Name:(3-octadecylsulfonyloxyphenyl) octadecane-1-sulfonate
Traditional Name:octadecane-1-sulfonic acid (3-stearylsulfonyloxyphenyl) ester
Formula: C42H78O6S2
MolecularWeight: 743.19512
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC=C1)OS(=O)(=O)CCCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC=C1)OS(=O)(=O)CCCCCCCCCCCCCCCCCC


InChI

InChI=1S/C42H78O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-49(43,44)47-41-36-35-37-42(40-41)48-50(45,46)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3


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