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

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

Systemtic Name:18-(dibutylamino)-18-oxidanylidene-9-sulfooxy-octadecanoic acid
Openeye Name:18-(dibutylamino)-18-oxo-9-sulfooxy-octadecanoic acid
CAS Name:18-(dibutylamino)-18-oxo-9-sulfooxyoctadecanoic acid
IUPAC Name:18-(dibutylamino)-18-oxo-9-sulfooxyoctadecanoic acid
Traditional Name:18-(dibutylamino)-18-keto-9-sulfoxy-stearic acid
Formula: C26H51NO7S
MolecularWeight: 521.75064
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCN(CCCC)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O


InChI

InChI=1S/C26H51NO7S/c1-3-5-22-27(23-6-4-2)25(28)20-16-12-8-7-10-14-18-24(34-35(31,32)33)19-15-11-9-13-17-21-26(29)30/h24H,3-23H2,1-2H3,(H,29,30)(H,31,32,33)


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