disodium 4-(icosylamino)-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-(icosylamino)-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-(icosylamino)-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-(eicosylamino)-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-(icosylamino)-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-(arachylamino)-4-keto-2-sulfonato-butyrate Formula: C48H90N2Na2O12S2-2 MolecularWeight: 997.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H47NO6S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(26)21-22(24(27)28)32(29,30)31;;/h2*22H,2-21H2,1H3,(H,25,26)(H,27,28)(H,29,30,31);;/q;;2*+1/p-4