4-(2-methylphenyl)-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(2-methylphenyl)-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-hydroxy-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-hydroxy-4-(2-methylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-hydroxy-4-(2-methylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-hydroxy-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylate Formula: C14H13O3- MolecularWeight: 229.25122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])O

InChI

InChI=1S/C14H14O3/c1-10-4-2-3-5-12(10)14(17)8-6-11(7-9-14)13(15)16/h2-9,11,17H,1H3,(H,15,16)/p-1