sodium 2-(2-azanyl-2-oxidanylidene-ethyl)-2-sulfo-icosanoate

Systemtic Name: sodium 2-(2-azanyl-2-oxidanylidene-ethyl)-2-sulfo-icosanoate Openeye Name: sodium 2-(2-amino-2-oxo-ethyl)-2-sulfo-icosanoate CAS Name: sodium 2-(2-amino-2-oxoethyl)-2-sulfoeicosanoate IUPAC Name: sodium 2-(2-amino-2-oxoethyl)-2-sulfoicosanoate Traditional Name: sodium 2-(2-amino-2-keto-ethyl)-2-sulfo-arachidate Formula: C22H42NNaO6S MolecularWeight: 471.62675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)N)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)N)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(25)26,19-20(23)24)30(27,28)29;/h2-19H2,1H3,(H2,23,24)(H,25,26)(H,27,28,29);/q;+1/p-1