sodium [1-[methyl(phenyl)amino]-1-oxidanylidene-octadecan-9-yl] hydrogen sulfate

Systemtic Name: sodium [1-[methyl(phenyl)amino]-1-oxidanylidene-octadecan-9-yl] hydrogen sulfate Openeye Name: sodium 1-[8-(N-methylanilino)-8-oxo-octyl]decyl hydrogen sulfate CAS Name: sodium sulfuric acid [1-(N-methylanilino)-1-oxooctadecan-9-yl] ester IUPAC Name: sodium [1-(N-methylanilino)-1-oxooctadecan-9-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid 1-[8-keto-8-(N-methylanilino)octyl]decyl ester Formula: C25H43NNaO5S+ MolecularWeight: 492.66739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)N(C)C1=CC=CC=C1)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)N(C)C1=CC=CC=C1)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C25H43NO5S.Na/c1-3-4-5-6-7-9-15-20-24(31-32(28,29)30)21-16-10-8-11-17-22-25(27)26(2)23-18-13-12-14-19-23;/h12-14,18-19,24H,3-11,15-17,20-22H2,1-2H3,(H,28,29,30);/q;+1