(2E,6S)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-(1,3-benzodioxol-5-ylmethylene)-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methylcyclohexan-1-one Traditional Name: (2S,6E)-2-methyl-6-piperonylidene-cyclohexanone Formula: C15H16O3 MolecularWeight: 244.28574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC3=C(C=C2)OCO3)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O

InChI

InChI=1S/C15H16O3/c1-10-3-2-4-12(15(10)16)7-11-5-6-13-14(8-11)18-9-17-13/h5-8,10H,2-4,9H2,1H3/b12-7+/t10-/m0/s1