methyl 4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]benzoate CAS Name: 4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]benzoic acid methyl ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC=C(C=C2)C(=O)OC)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC=C(C=C2)C(=O)OC)/C1=O

InChI

InChI=1S/C16H18O3/c1-11-4-3-5-14(15(11)17)10-12-6-8-13(9-7-12)16(18)19-2/h6-11H,3-5H2,1-2H3/b14-10+/t11-/m0/s1