4-[2-[4-[2-(3-carboxy-4-oxidanyl-phenyl)ethyl]phenyl]ethyl]phthalic acid

Systemtic Name: 4-[2-[4-[2-(3-carboxy-4-oxidanyl-phenyl)ethyl]phenyl]ethyl]phthalic acid Openeye Name: 4-[2-[4-[2-(3-carboxy-4-hydroxy-phenyl)ethyl]phenyl]ethyl]phthalic acid CAS Name: 4-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethyl]phenyl]ethyl]phthalic acid IUPAC Name: 4-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethyl]phenyl]ethyl]phthalic acid Traditional Name: 4-[2-[4-[2-(3-carboxy-4-hydroxy-phenyl)ethyl]phenyl]ethyl]phthalic acid Formula: C25H22O7 MolecularWeight: 434.43798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC(=C(C=C2)C(=O)O)C(=O)O)CCC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC(=C(C=C2)C(=O)O)C(=O)O)CCC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C25H22O7/c26-22-12-10-18(14-21(22)25(31)32)8-6-16-3-1-15(2-4-16)5-7-17-9-11-19(23(27)28)20(13-17)24(29)30/h1-4,9-14,26H,5-8H2,(H,27,28)(H,29,30)(H,31,32)