methyl 1-methyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 1-methyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 1-methyl-4-oxo-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-methyl-4-oxo-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-oxocyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-keto-1-methyl-cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C9H10O3 MolecularWeight: 166.1739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h3-6H,1-2H3