calcium; sodium; (E)-but-2-enedioate; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: calcium; sodium; (E)-but-2-enedioate; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: calcium; sodium; (E)-but-2-enedioate; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: calcium; sodium; (E)-2-butenedioate; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: calcium; sodium; (E)-but-2-enedioate; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: calcium sodium 2,3,4-trihydroxy-4-keto-butyrate fumarate Formula: C8H7CaNaO10 MolecularWeight: 326.20295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(=C/C(=O)[O-])\C(=O)[O-].C(C(C(=O)[O-])O)(C(=O)O)O.[Na+].[Ca+2]

InChI

InChI=1S/C4H6O6.C4H4O4.Ca.Na/c5-1(3(7)8)2(6)4(9)10;5-3(6)1-2-4(7)8;;/h1-2,5-6H,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);;/q;;+2;+1/p-3/b;2-1+;;