5-[1-[3-(dioxidanylmethyl)-5-methyl-4-oxidanyl-phenyl]-4-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[1-[3-(dioxidanylmethyl)-5-methyl-4-oxidanyl-phenyl]-4-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[1-[3-(hydroperoxymethyl)-4-hydroxy-5-methyl-phenyl]-4-hydroxy-4-oxo-butyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[1-[3-(hydroperoxymethyl)-4-hydroxy-5-methylphenyl]-4-hydroxy-4-oxobutyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[1-[3-(hydroperoxymethyl)-4-hydroxy-5-methylphenyl]-4-hydroxy-4-oxobutyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[1-[3-(hydroperoxymethyl)-4-hydroxy-5-methyl-phenyl]-4-hydroxy-4-keto-butyl]-2-hydroxy-3-methyl-benzoic acid Formula: C20H22O8 MolecularWeight: 390.38388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CCC(=O)O)C2=CC(=C(C(=C2)C(=O)O)O)C)COO)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(CCC(=O)O)C2=CC(=C(C(=C2)C(=O)O)O)C)COO)O

InChI

InChI=1S/C20H22O8/c1-10-5-12(7-14(9-28-27)18(10)23)15(3-4-17(21)22)13-6-11(2)19(24)16(8-13)20(25)26/h5-8,15,23-24,27H,3-4,9H2,1-2H3,(H,21,22)(H,25,26)