benzo[b][1]benzoxepine; (E)-but-2-enedioate

Systemtic Name: benzo[b][1]benzoxepine; (E)-but-2-enedioate Openeye Name: benzo[b][1]benzoxepine; (E)-but-2-enedioate CAS Name: benzo[b][1]benzoxepin; (E)-2-butenedioate IUPAC Name: benzo[b][1]benzoxepine; (E)-but-2-enedioate Traditional Name: benzo[b][1]benzoxepin fumarate Formula: C18H12O5-2 MolecularWeight: 308.28488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC=CC=C3O2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3O2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H10O.C4H4O4/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;5-3(6)1-2-4(7)8/h1-10H;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+