2-(2-methylphenyl)-4-nonyl-cyclopentane-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-4-nonyl-cyclopentane-1,3-dione Openeye Name: 4-nonyl-2-(o-tolyl)cyclopentane-1,3-dione CAS Name: 2-(2-methylphenyl)-4-nonylcyclopentane-1,3-dione IUPAC Name: 2-(2-methylphenyl)-4-nonylcyclopentane-1,3-dione Traditional Name: 4-nonyl-2-(o-tolyl)cyclopentane-1,3-quinone Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(=O)C(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCCC1CC(=O)C(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-13-17-15-19(22)20(21(17)23)18-14-11-10-12-16(18)2/h10-12,14,17,20H,3-9,13,15H2,1-2H3