4-methylphthalate

Systemtic Name: 4-methylphthalate Openeye Name: 4-methylphthalate CAS Name: 4-methylphthalate IUPAC Name: 4-methylphthalate Traditional Name: 4-methylphthalate Formula: C9H6O4-2 MolecularWeight: 178.14154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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