methyl (3S)-3-but-3-enyl-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl (3S)-3-but-3-enyl-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl (3S)-3-but-3-enyl-3-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (3S)-3-but-3-enyl-3-methyl-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (3S)-3-but-3-enyl-3-methyl-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (3S)-3-but-3-enyl-6-keto-3-methyl-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]1(C=CC(=O)C(=C1)C(=O)OC)CCC=C

InChI

InChI=1S/C13H16O3/c1-4-5-7-13(2)8-6-11(14)10(9-13)12(15)16-3/h4,6,8-9H,1,5,7H2,2-3H3/t13-/m0/s1