2H-1-benzoxepin-5-one; (E)-but-2-enedioate

Systemtic Name: 2H-1-benzoxepin-5-one; (E)-but-2-enedioate Openeye Name: 2H-1-benzoxepin-5-one; (E)-but-2-enedioate CAS Name: 2H-1-benzoxepin-5-one; (E)-2-butenedioate IUPAC Name: 2H-1-benzoxepin-5-one; (E)-but-2-enedioate Traditional Name: 2H-1-benzoxepin-5-one fumarate Formula: C14H10O6-2 MolecularWeight: 274.2256

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)C2=CC=CC=C2O1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC(=O)C2=CC=CC=C2O1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H8O2.C4H4O4/c11-9-5-3-7-12-10-6-2-1-4-8(9)10;5-3(6)1-2-4(7)8/h1-6H,7H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+