3-sulfanylpyrrole-2,5-dione hydrate

Systemtic Name: 3-sulfanylpyrrole-2,5-dione hydrate Openeye Name: 3-sulfanylpyrrole-2,5-dione hydrate CAS Name: 3-mercaptopyrrole-2,5-dione hydrate IUPAC Name: 3-sulfanylpyrrole-2,5-dione hydrate Traditional Name: 3-mercapto-3-pyrroline-2,5-quinone hydrate Formula: C8H8N2O5S2 MolecularWeight: 276.28952

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC1=O)S.C1=C(C(=O)NC1=O)S.O

Isomeric SMILES

C1=C(C(=O)NC1=O)S.C1=C(C(=O)NC1=O)S.O

InChI

InChI=1S/2C4H3NO2S.H2O/c2*6-3-1-2(8)4(7)5-3;/h2*1H,(H2,5,6,7,8);1H2