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[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] octadecane-1-sulfonate

[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] octadecane-1-sulfonate

Systemtic Name:[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] octadecane-1-sulfonate
Openeye Name:[4-(2-methyl-2-morpholino-propanoyl)phenyl] octadecane-1-sulfonate
CAS Name:1-octadecanesulfonic acid
IUPAC Name:[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] octadecane-1-sulfonate
Traditional Name:octadecane-1-sulfonic acid [4-(2-methyl-2-morpholino-propanoyl)phenyl] ester
Formula: C32H55NO5S
MolecularWeight: 565.8478
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2


InChI

InChI=1S/C32H55NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-39(35,36)38-30-22-20-29(21-23-30)31(34)32(2,3)33-24-26-37-27-25-33/h20-23H,4-19,24-28H2,1-3H3


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