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

Systemtic Name: trisodium 4,5-dimethyl-2-sulfonato-benzene-1,3-dicarboxylate Openeye Name: trisodium 4,5-dimethyl-2-sulfonato-benzene-1,3-dicarboxylate CAS Name: trisodium 4,5-dimethyl-2-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: trisodium 4,5-dimethyl-2-sulfonatobenzene-1,3-dicarboxylate Traditional Name: trisodium 4,5-dimethyl-2-sulfonato-isophthalate Formula: C10H7Na3O7S MolecularWeight: 340.19269

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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.[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C10H10O7S.3Na/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;3*+1/p-3