3-methylphthalate; phthalic acid

Systemtic Name: 3-methylphthalate; phthalic acid Openeye Name: 3-methylphthalate; phthalic acid CAS Name: 3-methylphthalate; phthalic acid IUPAC Name: 3-methylphthalate; phthalic acid Traditional Name: 3-methylphthalate; phthalic acid Formula: C17H12O8-2 MolecularWeight: 344.27238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O4.C8H6O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-4H,1H3,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12)/p-2