4-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid

Systemtic Name: 4-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid Openeye Name: 4-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid CAS Name: 4-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid IUPAC Name: 4-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid Traditional Name: 4-[4-[4-(3,4-dicarboxyphenoxy)benzyl]phenoxy]phthalic acid Formula: C29H20O10 MolecularWeight: 528.4631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H20O10/c30-26(31)22-11-9-20(14-24(22)28(34)35)38-18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)39-21-10-12-23(27(32)33)25(15-21)29(36)37/h1-12,14-15H,13H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)