(1S,3S,7R)-1-methyl-4-oxidanylidene-3-phenyl-bicyclo[5.1.0]oct-5-ene-7-carbaldehyde

Systemtic Name: (1S,3S,7R)-1-methyl-4-oxidanylidene-3-phenyl-bicyclo[5.1.0]oct-5-ene-7-carbaldehyde Openeye Name: (1S,3S,7R)-1-methyl-4-oxo-3-phenyl-bicyclo[5.1.0]oct-5-ene-7-carbaldehyde CAS Name: (1S,3S,7R)-1-methyl-4-oxo-3-phenyl-7-bicyclo[5.1.0]oct-5-enecarboxaldehyde IUPAC Name: (1S,3S,7R)-1-methyl-4-oxo-3-phenylbicyclo[5.1.0]oct-5-ene-7-carbaldehyde Traditional Name: (1S,3S,7R)-4-keto-1-methyl-3-phenyl-bicyclo[5.1.0]oct-5-ene-7-carbaldehyde Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C(=O)C=CC1(C2)C=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@]12C[C@H](C(=O)C=C[C@@]1(C2)C=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16O2/c1-15-9-13(12-5-3-2-4-6-12)14(18)7-8-16(15,10-15)11-17/h2-8,11,13H,9-10H2,1H3/t13-,15-,16+/m0/s1