5-[(4-carboxyphenyl)-[3-(dioxidanylmethyl)-5-methyl-4-oxidanyl-phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-carboxyphenyl)-[3-(dioxidanylmethyl)-5-methyl-4-oxidanyl-phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-carboxyphenyl)-[3-(hydroperoxymethyl)-4-hydroxy-5-methyl-phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(4-carboxyphenyl)-[3-(hydroperoxymethyl)-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(4-carboxyphenyl)-[3-(hydroperoxymethyl)-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(4-carboxyphenyl)-[3-(hydroperoxymethyl)-4-hydroxy-5-methyl-phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C24H22O8 MolecularWeight: 438.42668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C(=C3)C(=O)O)O)C)COO)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C(=C3)C(=O)O)O)C)COO)O

InChI

InChI=1S/C24H22O8/c1-12-7-16(9-18(11-32-31)21(12)25)20(14-3-5-15(6-4-14)23(27)28)17-8-13(2)22(26)19(10-17)24(29)30/h3-10,20,25-26,31H,11H2,1-2H3,(H,27,28)(H,29,30)