sodium 1-azanyl-4-oxidanylidene-henicosane-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-oxidanylidene-henicosane-2-sulfonate Openeye Name: sodium 1-amino-4-oxo-henicosane-2-sulfonate CAS Name: sodium 1-amino-4-oxo-2-heneicosanesulfonate IUPAC Name: sodium 1-amino-4-oxohenicosane-2-sulfonate Traditional Name: sodium 1-amino-4-keto-heneicosane-2-sulfonate Formula: C21H42NNaO4S MolecularWeight: 427.61725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(CN)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(CN)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H43NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)18-21(19-22)27(24,25)26;/h21H,2-19,22H2,1H3,(H,24,25,26);/q;+1/p-1