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18-(dimethylamino)-18-oxidanylidene-9-sulfooxy-octadecanoic acid

18-(dimethylamino)-18-oxidanylidene-9-sulfooxy-octadecanoic acid

Systemtic Name:18-(dimethylamino)-18-oxidanylidene-9-sulfooxy-octadecanoic acid
Openeye Name:18-(dimethylamino)-18-oxo-9-sulfooxy-octadecanoic acid
CAS Name:18-(dimethylamino)-18-oxo-9-sulfooxyoctadecanoic acid
IUPAC Name:18-(dimethylamino)-18-oxo-9-sulfooxyoctadecanoic acid
Traditional Name:18-(dimethylamino)-18-keto-9-sulfoxy-stearic acid
Formula: C20H39NO7S
MolecularWeight: 437.59116
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O


Isomeric SMILES

CN(C)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O


InChI

InChI=1S/C20H39NO7S/c1-21(2)19(22)16-12-8-4-3-6-10-14-18(28-29(25,26)27)15-11-7-5-9-13-17-20(23)24/h18H,3-17H2,1-2H3,(H,23,24)(H,25,26,27)


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