sodium 3-(octadecanoylamino)-4-oxidanyl-4-oxidanylidene-butane-1-sulfonate

Systemtic Name: sodium 3-(octadecanoylamino)-4-oxidanyl-4-oxidanylidene-butane-1-sulfonate Openeye Name: sodium 4-hydroxy-3-(octadecanoylamino)-4-oxo-butane-1-sulfonate CAS Name: sodium 4-hydroxy-4-oxo-3-(1-oxooctadecylamino)-1-butanesulfonate IUPAC Name: sodium 4-hydroxy-3-(octadecanoylamino)-4-oxobutane-1-sulfonate Traditional Name: sodium 4-hydroxy-4-keto-3-stearamido-butane-1-sulfonate Formula: C22H42NNaO6S MolecularWeight: 471.62675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C22H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19-30(27,28)29;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);/q;+1/p-1