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5-methylbenzene-1,3-dicarboxylate

5-methylbenzene-1,3-dicarboxylate

Systemtic Name:5-methylbenzene-1,3-dicarboxylate
Openeye Name:5-methylbenzene-1,3-dicarboxylate
CAS Name:5-methylbenzene-1,3-dicarboxylate
IUPAC Name:5-methylbenzene-1,3-dicarboxylate
Traditional Name:5-methylisophthalate
Formula: C9H6O4-2
MolecularWeight: 178.14154
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)/p-2


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