cyclohexa-2,5-diene-1,4-dione; 2-sulfanylethanoate

Systemtic Name: cyclohexa-2,5-diene-1,4-dione; 2-sulfanylethanoate Openeye Name: 1,4-benzoquinone; 2-sulfanylacetate CAS Name: cyclohexa-2,5-diene-1,4-dione; 2-mercaptoacetate IUPAC Name: cyclohexa-2,5-diene-1,4-dione; 2-sulfanylacetate Traditional Name: 2-mercaptoacetate; p-benzoquinone Formula: C8H7O4S- MolecularWeight: 199.20378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=O.C(C(=O)[O-])S

Isomeric SMILES

C1=CC(=O)C=CC1=O.C(C(=O)[O-])S

InChI

InChI=1S/C6H4O2.C2H4O2S/c7-5-1-2-6(8)4-3-5;3-2(4)1-5/h1-4H;5H,1H2,(H,3,4)/p-1