4-[4-carboxy-2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]phthalic acid

Systemtic Name: 4-[4-carboxy-2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]phthalic acid Openeye Name: 4-[4-carboxy-2-(3-hydroxy-2-methyl-3-oxo-propyl)phenyl]phthalic acid CAS Name: 4-[4-carboxy-2-(3-hydroxy-2-methyl-3-oxopropyl)phenyl]phthalic acid IUPAC Name: 4-[4-carboxy-2-(3-hydroxy-2-methyl-3-oxopropyl)phenyl]phthalic acid Traditional Name: 4-[4-carboxy-2-(3-hydroxy-3-keto-2-methyl-propyl)phenyl]phthalic acid Formula: C19H16O8 MolecularWeight: 372.32554

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=C(C=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16O8/c1-9(16(20)21)6-12-7-11(17(22)23)3-4-13(12)10-2-5-14(18(24)25)15(8-10)19(26)27/h2-5,7-9H,6H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)