2,3-bis(oxidanyl)-4-oxidanylidene-4-[4-oxidanylidene-3,3-disulfo-4-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanimidoyl]oxy-butanoic acid

Systemtic Name: 2,3-bis(oxidanyl)-4-oxidanylidene-4-[4-oxidanylidene-3,3-disulfo-4-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanimidoyl]oxy-butanoic acid Openeye Name: 2,3-dihydroxy-4-oxo-4-[4-oxo-3,3-disulfo-4-(2,3,4-trihydroxy-4-oxo-butanoyl)oxy-butanimidoyl]oxy-butanoic acid CAS Name: 2,3-dihydroxy-4-[1-imino-4-oxo-3,3-disulfo-4-(2,3,4-trihydroxy-1,4-dioxobutoxy)butoxy]-4-oxobutanoic acid IUPAC Name: 2,3-dihydroxy-4-oxo-4-[4-oxo-3,3-disulfo-4-(2,3,4-trihydroxy-4-oxobutanoyl)oxybutanimidoyl]oxybutanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-keto-3,3-disulfo-4-(2,3,4-trihydroxy-4-keto-butanoyl)oxy-butanimidoyl]oxy-butyric acid Formula: C12H15NO19S2 MolecularWeight: 541.3728

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=N)OC(=O)C(C(C(=O)O)O)O)C(C(=O)OC(=O)C(C(C(=O)O)O)O)(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C(C(=N)OC(=O)C(C(C(=O)O)O)O)C(C(=O)OC(=O)C(C(C(=O)O)O)O)(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H15NO19S2/c13-2(31-9(22)5(16)3(14)7(18)19)1-12(33(25,26)27,34(28,29)30)11(24)32-10(23)6(17)4(15)8(20)21/h3-6,13-17H,1H2,(H,18,19)(H,20,21)(H,25,26,27)(H,28,29,30)