calcium; 2,3-bis(oxidanyl)butanedioate; (E)-but-2-enedioate

Systemtic Name: calcium; 2,3-bis(oxidanyl)butanedioate; (E)-but-2-enedioate Openeye Name: calcium; (E)-but-2-enedioate; 2,3-dihydroxybutanedioate CAS Name: calcium; (E)-2-butenedioate; 2,3-dihydroxybutanedioate IUPAC Name: calcium; (E)-but-2-enedioate; 2,3-dihydroxybutanedioate Traditional Name: calcium fumarate tartrate Formula: C8H6CaO10-2 MolecularWeight: 302.20524

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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.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C4H6O6.C4H4O4.Ca/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/p-4/b;2-1+;