potassium 4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate

Systemtic Name: potassium 4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate Openeye Name: potassium 4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate CAS Name: potassium 4,5-dimethyl-2-sulfobenzene-1,3-dicarboxylate IUPAC Name: potassium 4,5-dimethyl-2-sulfobenzene-1,3-dicarboxylate Traditional Name: potassium 4,5-dimethyl-2-sulfo-isophthalate Formula: C10H8KO7S- MolecularWeight: 311.32962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O7S.K/c1-4-3-6(9(11)12)8(18(15,16)17)7(5(4)2)10(13)14;/h3H,1-2H3,(H,11,12)(H,13,14)(H,15,16,17);/q;+1/p-2