1-(3-methylphenyl)icosane-1,3-dione

Systemtic Name: 1-(3-methylphenyl)icosane-1,3-dione Openeye Name: 1-(m-tolyl)icosane-1,3-dione CAS Name: 1-(3-methylphenyl)eicosane-1,3-dione IUPAC Name: 1-(3-methylphenyl)icosane-1,3-dione Traditional Name: 1-(m-tolyl)eicosane-1,3-dione Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C27H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)23-27(29)25-20-18-19-24(2)22-25/h18-20,22H,3-17,21,23H2,1-2H3