4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid

Systemtic Name: 4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid Openeye Name: 4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid CAS Name: 4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid IUPAC Name: 4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid Traditional Name: 4-[2-[4-[2-(3,4-dicarboxyphenyl)ethyl]phenyl]ethyl]phthalic acid Formula: C26H22O8 MolecularWeight: 462.44808

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)C(=O)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)C(=O)O)C(=O)O

InChI

InChI=1S/C26H22O8/c27-23(28)19-11-9-17(13-21(19)25(31)32)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24(29)30)22(14-18)26(33)34/h1-4,9-14H,5-8H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)