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

Systemtic Name: 2-octyl-1-phenyl-butane-1,3-dione Openeye Name: 2-octyl-1-phenyl-butane-1,3-dione CAS Name: 2-octyl-1-phenylbutane-1,3-dione IUPAC Name: 2-octyl-1-phenylbutane-1,3-dione Traditional Name: 2-octyl-1-phenyl-butane-1,3-dione Formula: C18H26O2 MolecularWeight: 274.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(C(=O)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H26O2/c1-3-4-5-6-7-11-14-17(15(2)19)18(20)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3