2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-4,5-dihydro-3aH-pentalene-1,3-quinone Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=O)C3CCC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=O)C3CCC=C3C2=O

InChI

InChI=1S/C16H16O2/c1-9-6-7-10(2)13(8-9)14-15(17)11-4-3-5-12(11)16(14)18/h4,6-8,12,14H,3,5H2,1-2H3