4-[1-(4-carboxyphenyl)-4-oxidanyl-4-oxidanylidene-butyl]phthalic acid

Systemtic Name: 4-[1-(4-carboxyphenyl)-4-oxidanyl-4-oxidanylidene-butyl]phthalic acid Openeye Name: 4-[1-(4-carboxyphenyl)-4-hydroxy-4-oxo-butyl]phthalic acid CAS Name: 4-[1-(4-carboxyphenyl)-4-hydroxy-4-oxobutyl]phthalic acid IUPAC Name: 4-[1-(4-carboxyphenyl)-4-hydroxy-4-oxobutyl]phthalic acid Traditional Name: 4-[1-(4-carboxyphenyl)-4-hydroxy-4-keto-butyl]phthalic acid Formula: C19H16O8 MolecularWeight: 372.32554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16O8/c20-16(21)8-7-13(10-1-3-11(4-2-10)17(22)23)12-5-6-14(18(24)25)15(9-12)19(26)27/h1-6,9,13H,7-8H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)