methyl 6-oxidanyl-5-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,6-triene-1-carboxylate

Systemtic Name: methyl 6-oxidanyl-5-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,6-triene-1-carboxylate Openeye Name: methyl 6-hydroxy-3-isopropyl-5-oxo-cyclohepta-1,3,6-triene-1-carboxylate CAS Name: 6-hydroxy-5-oxo-3-propan-2-yl-1-cyclohepta-1,3,6-trienecarboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-5-oxo-3-propan-2-ylcyclohepta-1,3,6-triene-1-carboxylate Traditional Name: 6-hydroxy-3-isopropyl-5-keto-cyclohepta-1,3,6-triene-1-carboxylic acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=CC(=C1)C(=O)OC)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C12H14O4/c1-7(2)8-4-9(12(15)16-3)6-11(14)10(13)5-8/h4-7H,1-3H3,(H,13,14)