4-oxidanyl-3,5-bis(phenylmethyl)phthalic acid

Systemtic Name: 4-oxidanyl-3,5-bis(phenylmethyl)phthalic acid Openeye Name: 3,5-dibenzyl-4-hydroxy-phthalic acid CAS Name: 4-hydroxy-3,5-bis(phenylmethyl)phthalic acid IUPAC Name: 3,5-dibenzyl-4-hydroxyphthalic acid Traditional Name: 3,5-dibenzyl-4-hydroxy-phthalic acid Formula: C22H18O5 MolecularWeight: 362.37532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=C(C(=C2)C(=O)O)C(=O)O)CC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C(=C2)C(=O)O)C(=O)O)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H18O5/c23-20-16(11-14-7-3-1-4-8-14)13-18(21(24)25)19(22(26)27)17(20)12-15-9-5-2-6-10-15/h1-10,13,23H,11-12H2,(H,24,25)(H,26,27)