disodium 5-carboxy-2,3-dimethyl-benzenesulfinate

Systemtic Name: disodium 5-carboxy-2,3-dimethyl-benzenesulfinate Openeye Name: disodium 5-carboxy-2,3-dimethyl-benzenesulfinate CAS Name: disodium 5-carboxy-2,3-dimethylbenzenesulfinate IUPAC Name: disodium 5-carboxy-2,3-dimethylbenzenesulfinate Traditional Name: disodium 5-carboxy-2,3-dimethyl-benzenesulfinate Formula: C9H9Na2O4S+ MolecularWeight: 259.2099

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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-1