butanedioate; (E)-but-2-enedioate; 2-oxidanylbutanedioate

Systemtic Name: butanedioate; (E)-but-2-enedioate; 2-oxidanylbutanedioate Openeye Name: butanedioate; (E)-but-2-enedioate; 2-hydroxybutanedioate CAS Name: butanedioate; (E)-2-butenedioate; 2-hydroxybutanedioate IUPAC Name: butanedioate; (E)-but-2-enedioate; 2-hydroxybutanedioate Traditional Name: 2-hydroxysuccinate; succinate; fumarate Formula: C12H10O13-6 MolecularWeight: 362.2

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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-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C(CC(=O)[O-])C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C4H6O5.C4H6O4.C4H4O4/c5-2(4(8)9)1-3(6)7;2*5-3(6)1-2-4(7)8/h2,5H,1H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1-2H,(H,5,6)(H,7,8)/p-6/b;;2-1+