2,4-dimethyl-5-sulfonato-benzene-1,3-dicarboxylate

Systemtic Name: 2,4-dimethyl-5-sulfonato-benzene-1,3-dicarboxylate Openeye Name: 2,4-dimethyl-5-sulfonato-benzene-1,3-dicarboxylate CAS Name: 2,4-dimethyl-5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: 2,4-dimethyl-5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: 2,4-dimethyl-5-sulfonato-isophthalate Formula: C10H7O7S-3 MolecularWeight: 271.22338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C)C(=O)[O-]

InChI

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