calcium sodium 2-oxidanyl-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanedioic acid

Systemtic Name: calcium sodium 2-oxidanyl-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanedioic acid Openeye Name: calcium sodium 2-hydroxy-3-(2,3,4-trihydroxy-4-oxo-butanoyl)oxy-butanedioic acid CAS Name: calcium sodium 2-hydroxy-3-(2,3,4-trihydroxy-1,4-dioxobutoxy)butanedioic acid IUPAC Name: calcium sodium 2-hydroxy-3-(2,3,4-trihydroxy-4-oxobutanoyl)oxybutanedioic acid Traditional Name: calcium sodium 2-hydroxy-3-(2,3,4-trihydroxy-4-keto-butanoyl)oxy-succinic acid Formula: C8H10CaNaO11+3 MolecularWeight: 345.22617

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)OC(C(C(=O)O)O)C(=O)O)O)(C(=O)O)O.[Na+].[Ca+2]

Isomeric SMILES

C(C(C(=O)OC(C(C(=O)O)O)C(=O)O)O)(C(=O)O)O.[Na+].[Ca+2]

InChI

InChI=1S/C8H10O11.Ca.Na/c9-1(5(12)13)2(10)8(18)19-4(7(16)17)3(11)6(14)15;;/h1-4,9-11H,(H,12,13)(H,14,15)(H,16,17);;/q;+2;+1