2-hexadecyl-1-(3-methylphenyl)butane-1,3-dione

Systemtic Name: 2-hexadecyl-1-(3-methylphenyl)butane-1,3-dione Openeye Name: 2-hexadecyl-1-(m-tolyl)butane-1,3-dione CAS Name: 2-hexadecyl-1-(3-methylphenyl)butane-1,3-dione IUPAC Name: 2-hexadecyl-1-(3-methylphenyl)butane-1,3-dione Traditional Name: 2-cetyl-1-(m-tolyl)butane-1,3-dione Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C)C(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C)C(=O)C1=CC(=CC=C1)C

InChI

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