(Z)-but-2-enedioate; 2-nitrothiepine

Systemtic Name: (Z)-but-2-enedioate; 2-nitrothiepine Openeye Name: (Z)-but-2-enedioate; 2-nitrothiepine CAS Name: (Z)-2-butenedioate; 2-nitrothiepin IUPAC Name: (Z)-but-2-enedioate; 2-nitrothiepine Traditional Name: 2-nitrothiepin maleate Formula: C10H7NO6S-2 MolecularWeight: 269.23068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(SC=C1)[N+](=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(SC=C1)[N+](=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C6H5NO2S.C4H4O4/c8-7(9)6-4-2-1-3-5-10-6;5-3(6)1-2-4(7)8/h1-5H;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-