tetraazanium 2-[12-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]dodecyl]butanedioate

Systemtic Name: tetraazanium 2-[12-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]dodecyl]butanedioate Openeye Name: tetraammonium 2-[12-[(4-hydroxy-4-oxo-3-sulfonato-butanoyl)amino]dodecyl]butanedioate CAS Name: tetraammonium 2-[12-[(4-hydroxy-1,4-dioxo-3-sulfonatobutyl)amino]dodecyl]butanedioate IUPAC Name: tetraazanium 2-[12-[(4-hydroxy-4-oxo-3-sulfonatobutanoyl)amino]dodecyl]butanedioate Traditional Name: tetraammonium 2-[12-[(4-hydroxy-4-keto-3-sulfonato-butanoyl)amino]dodecyl]succinate Formula: C80H144N8O40S4-8 MolecularWeight: 1986.28896

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)[O-])CCCCCC(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/4C20H35NO10S.4H3N/c4*22-17(14-16(20(27)28)32(29,30)31)21-12-10-8-6-4-2-1-3-5-7-9-11-15(19(25)26)13-18(23)24;;;;/h4*15-16H,1-14H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30,31);4*1H3/p-8