tetrasodium 2-[16-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]hexadecyl]butanedioate

Systemtic Name: tetrasodium 2-[16-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]hexadecyl]butanedioate Openeye Name: tetrasodium 2-[16-[(4-hydroxy-4-oxo-3-sulfonato-butanoyl)amino]hexadecyl]butanedioate CAS Name: tetrasodium 2-[16-[(4-hydroxy-1,4-dioxo-3-sulfonatobutyl)amino]hexadecyl]butanedioate IUPAC Name: tetrasodium 2-[16-[(4-hydroxy-4-oxo-3-sulfonatobutanoyl)amino]hexadecyl]butanedioate Traditional Name: tetrasodium 2-[16-[(4-hydroxy-4-keto-3-sulfonato-butanoyl)amino]hexadecyl]succinate Formula: C96H160N4Na4O40S4-8 MolecularWeight: 2230.51948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C24H43NO10S.4Na/c4*26-21(18-20(24(31)32)36(33,34)35)25-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(23(29)30)17-22(27)28;;;;/h4*19-20H,1-18H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34,35);;;;/q;;;;4*+1/p-12