2-[2-[6-(dioxidanyl)-4-oxidanyl-hexanoyl]-6-oxidanyl-phenyl]carbonyl-6-oxidanyl-benzoic acid

Systemtic Name: 2-[2-[6-(dioxidanyl)-4-oxidanyl-hexanoyl]-6-oxidanyl-phenyl]carbonyl-6-oxidanyl-benzoic acid Openeye Name: 2-[2-(6-hydroperoxy-4-hydroxy-hexanoyl)-6-hydroxy-benzoyl]-6-hydroxy-benzoic acid CAS Name: 2-[[2-(6-hydroperoxy-4-hydroxy-1-oxohexyl)-6-hydroxyphenyl]-oxomethyl]-6-hydroxybenzoic acid IUPAC Name: 2-[2-(6-hydroperoxy-4-hydroxyhexanoyl)-6-hydroxybenzoyl]-6-hydroxybenzoic acid Traditional Name: 2-[2-(6-hydroperoxy-4-hydroxy-hexanoyl)-6-hydroxy-benzoyl]-6-hydroxy-benzoic acid Formula: C20H20O9 MolecularWeight: 404.3674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)C2=C(C(=CC=C2)O)C(=O)O)C(=O)CCC(CCOO)O

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)C2=C(C(=CC=C2)O)C(=O)O)C(=O)CCC(CCOO)O

InChI

InChI=1S/C20H20O9/c21-11(9-10-29-28)7-8-14(22)12-3-1-5-15(23)17(12)19(25)13-4-2-6-16(24)18(13)20(26)27/h1-6,11,21,23-24,28H,7-10H2,(H,26,27)