1,3,3a,4,6,6a-hexahydropentalene-2,5-dione; (E)-but-2-enedioate

Systemtic Name: 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione; (E)-but-2-enedioate Openeye Name: 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione; (E)-but-2-enedioate CAS Name: 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione; (E)-2-butenedioate IUPAC Name: 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione; (E)-but-2-enedioate Traditional Name: 1,3,3a,4,6,6a-hexahydropentalene-2,5-quinone fumarate Formula: C12H12O6-2 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)CC2CC1=O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C2CC(=O)CC2CC1=O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H10O2.C4H4O4/c9-7-1-5-2-8(10)4-6(5)3-7;5-3(6)1-2-4(7)8/h5-6H,1-4H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+