(E)-but-2-enedioate; cyclohepta-1,3,5-triene

Systemtic Name: (E)-but-2-enedioate; cyclohepta-1,3,5-triene Openeye Name: (E)-but-2-enedioate; cyclohepta-1,3,5-triene CAS Name: (E)-2-butenedioate; cyclohepta-1,3,5-triene IUPAC Name: (E)-but-2-enedioate; cyclohepta-1,3,5-triene Traditional Name: cyclohepta-1,3,5-triene fumarate Formula: C11H10O4-2 MolecularWeight: 206.1947

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC=C1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C7H8.C4H4O4/c1-2-4-6-7-5-3-1;5-3(6)1-2-4(7)8/h1-6H,7H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+