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

Systemtic Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-nitro-benzoic acid Openeye Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-nitro-benzoic acid CAS Name: 2-[[4-[[4-[(2-carboxyphenyl)methyldioxy]phenyl]methyl]phenoxy]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-[4-[[4-[(2-carboxyphenyl)methylperoxy]phenyl]methyl]phenoxy]carbonyl-5-nitrobenzoic acid Traditional Name: 2-[4-[4-(2-carboxybenzyl)peroxybenzyl]phenoxy]carbonyl-5-nitro-benzoic acid Formula: C29H21NO10 MolecularWeight: 543.47774

Click to see the large picture

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)[N+](=O)[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)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C29H21NO10/c31-27(32)24-4-2-1-3-20(24)17-38-40-23-12-7-19(8-13-23)15-18-5-10-22(11-6-18)39-29(35)25-14-9-21(30(36)37)16-26(25)28(33)34/h1-14,16H,15,17H2,(H,31,32)(H,33,34)