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

Systemtic Name: 4-[3-[[3-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid Openeye Name: 4-[3-[[3-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid CAS Name: 4-[3-[[3-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid IUPAC Name: 4-[3-[[3-(3,4-dicarboxyphenoxy)phenyl]methyl]phenoxy]phthalic acid Traditional Name: 4-[3-[3-(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(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)CC3=CC(=CC=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)CC3=CC(=CC=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

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