1-methoxy-4-(2-sulfonatosulfanylethanoyl)benzene

Systemtic Name: 1-methoxy-4-(2-sulfonatosulfanylethanoyl)benzene Openeye Name: 1-methoxy-4-(2-sulfonatosulfanylacetyl)benzene CAS Name: 1-methoxy-4-[1-oxo-2-(sulfonatothio)ethyl]benzene IUPAC Name: 1-methoxy-4-(2-sulfonatosulfanylacetyl)benzene Traditional Name: 1-methoxy-4-[2-(sulfonatothio)acetyl]benzene Formula: C9H9O5S2- MolecularWeight: 261.29476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSS(=O)(=O)[O-]

InChI

InChI=1S/C9H10O5S2/c1-14-8-4-2-7(3-5-8)9(10)6-15-16(11,12)13/h2-5H,6H2,1H3,(H,11,12,13)/p-1