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

Systemtic Name: sodium [1-[methyl(phenyl)amino]-1-oxidanylidene-octadecan-9-yl] sulfate Openeye Name: sodium 1-[8-(N-methylanilino)-8-oxo-octyl]decyl sulfate CAS Name: sodium [1-(N-methylanilino)-1-oxooctadecan-9-yl] sulfate IUPAC Name: sodium [1-(N-methylanilino)-1-oxooctadecan-9-yl] sulfate Traditional Name: sodium 1-[8-keto-8-(N-methylanilino)octyl]decyl sulfate Formula: C25H42NNaO5S MolecularWeight: 491.65945

Click to see the large picture

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/p-1