sodium [18-(dibutylamino)-18-oxidanylidene-octadecan-9-yl] hydrogen sulfate

Systemtic Name: sodium [18-(dibutylamino)-18-oxidanylidene-octadecan-9-yl] hydrogen sulfate Openeye Name: sodium [10-(dibutylamino)-1-octyl-10-oxo-decyl] hydrogen sulfate CAS Name: sodium sulfuric acid [18-(dibutylamino)-18-oxooctadecan-9-yl] ester IUPAC Name: sodium [18-(dibutylamino)-18-oxooctadecan-9-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [10-(dibutylamino)-10-keto-1-octyl-decyl] ester Formula: C26H53NNaO5S+ MolecularWeight: 514.75749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)N(CCCC)CCCC)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)N(CCCC)CCCC)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C26H53NO5S.Na/c1-4-7-10-11-14-17-20-25(32-33(29,30)31)21-18-15-12-13-16-19-22-26(28)27(23-8-5-2)24-9-6-3;/h25H,4-24H2,1-3H3,(H,29,30,31);/q;+1