2-[2-(2-carboxy-5-methyl-phenyl)carbonyloxypropan-2-ylperoxymethyl]-4-methyl-benzoic acid

Systemtic Name: 2-[2-(2-carboxy-5-methyl-phenyl)carbonyloxypropan-2-ylperoxymethyl]-4-methyl-benzoic acid Openeye Name: 2-[[1-(2-carboxy-5-methyl-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-4-methyl-benzoic acid CAS Name: 2-[2-[(2-carboxy-5-methylphenyl)-oxomethoxy]propan-2-yldioxymethyl]-4-methylbenzoic acid IUPAC Name: 2-[2-(2-carboxy-5-methylbenzoyl)oxypropan-2-ylperoxymethyl]-4-methylbenzoic acid Traditional Name: 2-[[1-(2-carboxy-5-methyl-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-4-methyl-benzoic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)COOC(C)(C)OC(=O)C2=C(C=CC(=C2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)COOC(C)(C)OC(=O)C2=C(C=CC(=C2)C)C(=O)O

InChI

InChI=1S/C21H22O8/c1-12-5-7-15(18(22)23)14(9-12)11-27-29-21(3,4)28-20(26)17-10-13(2)6-8-16(17)19(24)25/h5-10H,11H2,1-4H3,(H,22,23)(H,24,25)