(5S,6R)-6-methyl-5-propanoyl-5-prop-2-enyl-cyclohexa-1,3-diene-1-carbaldehyde

Systemtic Name: (5S,6R)-6-methyl-5-propanoyl-5-prop-2-enyl-cyclohexa-1,3-diene-1-carbaldehyde Openeye Name: (5S,6R)-5-allyl-6-methyl-5-propanoyl-cyclohexa-1,3-diene-1-carbaldehyde CAS Name: (5S,6R)-6-methyl-5-(1-oxopropyl)-5-prop-2-enyl-1-cyclohexa-1,3-dienecarboxaldehyde IUPAC Name: (5S,6R)-6-methyl-5-propanoyl-5-prop-2-enylcyclohexa-1,3-diene-1-carbaldehyde Traditional Name: (5S,6R)-5-allyl-6-methyl-5-propionyl-cyclohexa-1,3-diene-1-carbaldehyde Formula: C14H18O2 MolecularWeight: 218.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C=CC=C(C1C)C=O)CC=C

Isomeric SMILES

CCC(=O)[C@]1(C=CC=C([C@H]1C)C=O)CC=C

InChI

InChI=1S/C14H18O2/c1-4-8-14(13(16)5-2)9-6-7-12(10-15)11(14)3/h4,6-7,9-11H,1,5,8H2,2-3H3/t11-,14+/m1/s1