4-methyl-2-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 4-methyl-2-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: 2-hydroxy-4-methyl-benzene-1,3-dicarboxylate CAS Name: 2-hydroxy-4-methylbenzene-1,3-dicarboxylate IUPAC Name: 2-hydroxy-4-methylbenzene-1,3-dicarboxylate Traditional Name: 2-hydroxy-4-methyl-isophthalate Formula: C9H6O5-2 MolecularWeight: 194.14094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C9H8O5/c1-4-2-3-5(8(11)12)7(10)6(4)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)/p-2