disodium 3,4-dimethyl-5-sulfinato-benzoate

Systemtic Name: disodium 3,4-dimethyl-5-sulfinato-benzoate Openeye Name: disodium 3,4-dimethyl-5-sulfinato-benzoate CAS Name: disodium 3,4-dimethyl-5-sulfinatobenzoate IUPAC Name: disodium 3,4-dimethyl-5-sulfinatobenzoate Traditional Name: disodium 3,4-dimethyl-5-sulfinato-benzoate Formula: C9H8Na2O4S MolecularWeight: 258.20196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O4S.2Na/c1-5-3-7(9(10)11)4-8(6(5)2)14(12)13;;/h3-4H,1-2H3,(H,10,11)(H,12,13);;/q;2*+1/p-2