2,4-dimethylbenzene-1,3-dicarboxylate; 2,3-dimethylterephthalate

Systemtic Name: 2,4-dimethylbenzene-1,3-dicarboxylate; 2,3-dimethylterephthalate Openeye Name: 2,4-dimethylbenzene-1,3-dicarboxylate; 2,3-dimethylterephthalate CAS Name: 2,4-dimethylbenzene-1,3-dicarboxylate; 2,3-dimethylterephthalate IUPAC Name: 2,4-dimethylbenzene-1,3-dicarboxylate; 2,3-dimethylterephthalate Traditional Name: 2,4-dimethylisophthalate; 2,3-dimethylterephthalate Formula: C20H16O8-4 MolecularWeight: 384.33624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)[O-])C)C(=O)[O-].CC1=C(C=CC(=C1C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)[O-])C)C(=O)[O-].CC1=C(C=CC(=C1C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C10H10O4/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h2*3-4H,1-2H3,(H,11,12)(H,13,14)/p-4