tetrasodium 3-aminocarbonyl-4-sulfonato-docosane-1,1,4-tricarboxylate

Systemtic Name: tetrasodium 3-aminocarbonyl-4-sulfonato-docosane-1,1,4-tricarboxylate Openeye Name: tetrasodium 3-carbamoyl-4-sulfonato-docosane-1,1,4-tricarboxylate CAS Name: tetrasodium 3-carbamoyl-4-sulfonatodocosane-1,1,4-tricarboxylate IUPAC Name: tetrasodium 3-carbamoyl-4-sulfonatodocosane-1,1,4-tricarboxylate Traditional Name: tetrasodium 3-carbamoyl-4-sulfonato-docosane-1,1,4-tricarboxylate Formula: C26H43NNa4O10S MolecularWeight: 653.6444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(25(33)34,38(35,36)37)21(22(27)28)19-20(23(29)30)24(31)32;;;;/h20-21H,2-19H2,1H3,(H2,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4