tetrasodium 2-[10-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]decyl]butanedioate

Systemtic Name: tetrasodium 2-[10-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]decyl]butanedioate Openeye Name: tetrasodium 2-[10-[(4-hydroxy-4-oxo-3-sulfonato-butanoyl)amino]decyl]butanedioate CAS Name: tetrasodium 2-[10-[(4-hydroxy-1,4-dioxo-3-sulfonatobutyl)amino]decyl]butanedioate IUPAC Name: tetrasodium 2-[10-[(4-hydroxy-4-oxo-3-sulfonatobutanoyl)amino]decyl]butanedioate Traditional Name: tetrasodium 2-[10-[(4-hydroxy-4-keto-3-sulfonato-butanoyl)amino]decyl]succinate Formula: C72H112N4Na4O40S4-8 MolecularWeight: 1893.88156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C18H31NO10S.4Na/c4*20-15(12-14(18(25)26)30(27,28)29)19-10-8-6-4-2-1-3-5-7-9-13(17(23)24)11-16(21)22;;;;/h4*13-14H,1-12H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28,29);;;;/q;;;;4*+1/p-12