2-hexadecyl-1-phenyl-butane-1,3-dione

Systemtic Name: 2-hexadecyl-1-phenyl-butane-1,3-dione Openeye Name: 2-hexadecyl-1-phenyl-butane-1,3-dione CAS Name: 2-hexadecyl-1-phenylbutane-1,3-dione IUPAC Name: 2-hexadecyl-1-phenylbutane-1,3-dione Traditional Name: 2-cetyl-1-phenyl-butane-1,3-dione Formula: C26H42O2 MolecularWeight: 386.61048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(23(2)27)26(28)24-20-17-16-18-21-24/h16-18,20-21,25H,3-15,19,22H2,1-2H3