3-methylphthalic acid; 4-methylphthalic acid

Systemtic Name: 3-methylphthalic acid; 4-methylphthalic acid Openeye Name: 3-methylphthalic acid; 4-methylphthalic acid CAS Name: 3-methylphthalic acid; 4-methylphthalic acid IUPAC Name: 3-methylphthalic acid; 4-methylphthalic acid Traditional Name: 3-methylphthalic acid; 4-methylphthalic acid Formula: C18H16O8 MolecularWeight: 360.31484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.CC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.CC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

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