sodium [18-(dibutylamino)-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-9-yl] sulfate

Systemtic Name: sodium [18-(dibutylamino)-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-9-yl] sulfate Openeye Name: sodium [10-(dibutylamino)-1-(8-hydroxy-8-oxo-octyl)-10-oxo-decyl] sulfate CAS Name: sodium [18-(dibutylamino)-1-hydroxy-1,18-dioxooctadecan-9-yl] sulfate IUPAC Name: sodium [18-(dibutylamino)-1-hydroxy-1,18-dioxooctadecan-9-yl] sulfate Traditional Name: sodium [10-(dibutylamino)-1-(8-hydroxy-8-keto-octyl)-10-keto-decyl] sulfate Formula: C26H50NNaO7S MolecularWeight: 543.73247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCN(CCCC)C(=O)CCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H51NO7S.Na/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);/q;+1/p-1