disodium 2-methyl-4-sulfinatooxy-benzenesulfonate

Systemtic Name: disodium 2-methyl-4-sulfinatooxy-benzenesulfonate Openeye Name: disodium 2-methyl-4-sulfinatooxy-benzenesulfonate CAS Name: disodium 2-methyl-4-sulfinatooxybenzenesulfonate IUPAC Name: disodium 2-methyl-4-sulfinatooxybenzenesulfonate Traditional Name: disodium 2-methyl-4-sulfito-besylate Formula: C7H6Na2O6S2 MolecularWeight: 296.22848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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