(E)-but-2-enedioate; (2-methanoylphenyl) hypobromite

Systemtic Name: (E)-but-2-enedioate; (2-methanoylphenyl) hypobromite Openeye Name: (E)-but-2-enedioate; (2-formylphenyl) hypobromite CAS Name: (E)-2-butenedioate; hypobromous acid (2-formylphenyl) ester IUPAC Name: (E)-but-2-enedioate; (2-formylphenyl) hypobromite Traditional Name: hypobromous acid (2-formylphenyl) ester difumarate Formula: C22H14Br2O12-4 MolecularWeight: 630.14736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H5BrO2.2C4H4O4/c2*8-10-7-4-2-1-3-6(7)5-9;2*5-3(6)1-2-4(7)8/h2*1-5H;2*1-2H,(H,5,6)(H,7,8)/p-4/b;;2*2-1+