4-(dioxidanylmethyl)-2,5-bis[(4-methylphenyl)amino]benzoic acid

Systemtic Name: 4-(dioxidanylmethyl)-2,5-bis[(4-methylphenyl)amino]benzoic acid Openeye Name: 4-(hydroperoxymethyl)-2,5-bis(4-methylanilino)benzoic acid CAS Name: 4-(hydroperoxymethyl)-2,5-bis(4-methylanilino)benzoic acid IUPAC Name: 4-(hydroperoxymethyl)-2,5-bis(4-methylanilino)benzoic acid Traditional Name: 4-(hydroperoxymethyl)-2,5-bis(p-toluidino)benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=C(C=C3)C)COO

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=C(C=C3)C)COO

InChI

InChI=1S/C22H22N2O4/c1-14-3-7-17(8-4-14)23-20-12-19(22(25)26)21(11-16(20)13-28-27)24-18-9-5-15(2)6-10-18/h3-12,23-24,27H,13H2,1-2H3,(H,25,26)