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

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

Systemtic Name:5-[3-(dioxidanylmethyl)-4-methyl-phenyl]-2-methyl-benzoic acid
Openeye Name:5-[3-(hydroperoxymethyl)-4-methyl-phenyl]-2-methyl-benzoic acid
CAS Name:5-[3-(hydroperoxymethyl)-4-methylphenyl]-2-methylbenzoic acid
IUPAC Name:5-[3-(hydroperoxymethyl)-4-methylphenyl]-2-methylbenzoic acid
Traditional Name:5-[3-(hydroperoxymethyl)-4-methyl-phenyl]-2-methyl-benzoic acid
Formula: C16H16O4
MolecularWeight: 272.29584
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H16O4/c1-10-3-5-12(7-14(10)9-20-19)13-6-4-11(2)15(8-13)16(17)18/h3-8,19H,9H2,1-2H3,(H,17,18)


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