2-[1-(2-carboxy-5-methyl-phenyl)carbonyloxypropylperoxymethyl]-4-methyl-benzoic acid

Systemtic Name: 2-[1-(2-carboxy-5-methyl-phenyl)carbonyloxypropylperoxymethyl]-4-methyl-benzoic acid Openeye Name: 2-[1-(2-carboxy-5-methyl-benzoyl)oxypropylperoxymethyl]-4-methyl-benzoic acid CAS Name: 2-[1-[(2-carboxy-5-methylphenyl)-oxomethoxy]propyldioxymethyl]-4-methylbenzoic acid IUPAC Name: 2-[1-(2-carboxy-5-methylbenzoyl)oxypropylperoxymethyl]-4-methylbenzoic acid Traditional Name: 2-[1-(2-carboxy-5-methyl-benzoyl)oxypropylperoxymethyl]-4-methyl-benzoic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=C(C=CC(=C1)C)C(=O)O)OOCC2=C(C=CC(=C2)C)C(=O)O

Isomeric SMILES

CCC(OC(=O)C1=C(C=CC(=C1)C)C(=O)O)OOCC2=C(C=CC(=C2)C)C(=O)O

InChI

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