4-[(4-bromophenyl)methyl]-6-(dioxidanylmethyl)-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[(4-bromophenyl)methyl]-6-(dioxidanylmethyl)-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(4-bromophenyl)methyl]-6-(hydroperoxymethyl)-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[(4-bromophenyl)methyl]-6-(hydroperoxymethyl)-1-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[(4-bromophenyl)methyl]-6-(hydroperoxymethyl)-1-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-(4-bromobenzyl)-6-(hydroperoxymethyl)-1-hydroxy-2-naphthoic acid Formula: C19H15BrO5 MolecularWeight: 403.2234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)COO)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C3C=C(C=CC3=C(C(=C2)C(=O)O)O)COO)Br

InChI

InChI=1S/C19H15BrO5/c20-14-4-1-11(2-5-14)7-13-9-17(19(22)23)18(21)15-6-3-12(10-25-24)8-16(13)15/h1-6,8-9,21,24H,7,10H2,(H,22,23)