2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H18O4 MolecularWeight: 286.32242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CC3=C(C=C2)OCCO3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CC3=C(C=C2)OCCO3)C(=O)C1)C

InChI

InChI=1S/C17H18O4/c1-17(2)9-13(18)12(14(19)10-17)7-11-3-4-15-16(8-11)21-6-5-20-15/h3-4,7-8H,5-6,9-10H2,1-2H3