2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-oxidanyl-benzoic acid

Systemtic Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-oxidanyl-benzoic acid Openeye Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-hydroxy-benzoic acid CAS Name: 2-[[4-[[4-[(2-carboxyphenyl)methyldioxy]phenyl]methyl]phenoxy]-oxomethyl]-5-hydroxybenzoic acid IUPAC Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-hydroxybenzoic acid Traditional Name: 2-[4-[4-(2-carboxybenzyl)peroxybenzyl]phenoxy]carbonyl-5-hydroxy-benzoic acid Formula: C29H22O9 MolecularWeight: 514.47958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COOC2=CC=C(C=C2)CC3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)COOC2=CC=C(C=C2)CC3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)O)C(=O)O)C(=O)O

InChI

InChI=1S/C29H22O9/c30-21-9-14-25(26(16-21)28(33)34)29(35)37-22-10-5-18(6-11-22)15-19-7-12-23(13-8-19)38-36-17-20-3-1-2-4-24(20)27(31)32/h1-14,16,30H,15,17H2,(H,31,32)(H,33,34)