disodium 3-methyl-5-sulfinatooxy-benzenesulfonate

Systemtic Name: disodium 3-methyl-5-sulfinatooxy-benzenesulfonate Openeye Name: disodium 3-methyl-5-sulfinatooxy-benzenesulfonate CAS Name: disodium 3-methyl-5-sulfinatooxybenzenesulfonate IUPAC Name: disodium 3-methyl-5-sulfinatooxybenzenesulfonate Traditional Name: disodium 3-methyl-5-sulfito-besylate Formula: C7H6Na2O6S2 MolecularWeight: 296.22848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)[O-])OS(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)[O-])OS(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H8O6S2.2Na/c1-5-2-6(13-14(8)9)4-7(3-5)15(10,11)12;;/h2-4H,1H3,(H,8,9)(H,10,11,12);;/q;2*+1/p-2