6-[2-[2-[2-[1,2-bis(oxidanyl)ethyl]phenyl]carbonyloxyethoxycarbonyl]-6-(1-hydroxyethyl)phenyl]carbonylperoxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-[2-[2-[1,2-bis(oxidanyl)ethyl]phenyl]carbonyloxyethoxycarbonyl]-6-(1-hydroxyethyl)phenyl]carbonylperoxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-[2-[2-(1,2-dihydroxyethyl)benzoyl]oxyethoxycarbonyl]-6-(1-hydroxyethyl)benzoyl]peroxy-6-oxo-hexanoic acid CAS Name: 6-[[2-[2-[[2-(1,2-dihydroxyethyl)phenyl]-oxomethoxy]ethoxy-oxomethyl]-6-(1-hydroxyethyl)phenyl]-oxomethyl]dioxy-6-oxohexanoic acid IUPAC Name: 6-[2-[2-[2-(1,2-dihydroxyethyl)benzoyl]oxyethoxycarbonyl]-6-(1-hydroxyethyl)benzoyl]peroxy-6-oxohexanoic acid Traditional Name: 6-[2-[2-[2-(1,2-dihydroxyethyl)benzoyl]oxyethoxycarbonyl]-6-(1-hydroxyethyl)benzoyl]peroxy-6-keto-hexanoic acid Formula: C27H30O13 MolecularWeight: 562.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1C(=O)OOC(=O)CCCCC(=O)O)C(=O)OCCOC(=O)C2=CC=CC=C2C(CO)O)O

Isomeric SMILES

CC(C1=CC=CC(=C1C(=O)OOC(=O)CCCCC(=O)O)C(=O)OCCOC(=O)C2=CC=CC=C2C(CO)O)O

InChI

InChI=1S/C27H30O13/c1-16(29)17-9-6-10-20(24(17)27(36)40-39-23(33)12-5-4-11-22(31)32)26(35)38-14-13-37-25(34)19-8-3-2-7-18(19)21(30)15-28/h2-3,6-10,16,21,28-30H,4-5,11-15H2,1H3,(H,31,32)