2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalene-1,3-quinone Formula: C16H18O2 MolecularWeight: 242.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=O)C3CCCC3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=O)C3CCCC3C2=O

InChI

InChI=1S/C16H18O2/c1-9-6-7-10(2)13(8-9)14-15(17)11-4-3-5-12(11)16(14)18/h6-8,11-12,14H,3-5H2,1-2H3