2,6-dimethylheptan-4-one; dodecane; hexyl ethanoate; octan-1-ol

Systemtic Name: 2,6-dimethylheptan-4-one; dodecane; hexyl ethanoate; octan-1-ol Openeye Name: 2,6-dimethylheptan-4-one; dodecane; hexyl acetate; octan-1-ol CAS Name: acetic acid hexyl ester; 2,6-dimethyl-4-heptanone; dodecane; 1-octanol IUPAC Name: 2,6-dimethylheptan-4-one; dodecane; hexyl acetate; octan-1-ol Traditional Name: acetic acid hexyl ester; 2,6-dimethylheptan-4-one; dodecane; octan-1-ol Formula: C37H78O4 MolecularWeight: 587.01282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC.CCCCCCCCO.CCCCCCOC(=O)C.CC(C)CC(=O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCC.CCCCCCCCO.CCCCCCOC(=O)C.CC(C)CC(=O)CC(C)C

InChI

InChI=1S/C12H26.C9H18O.C8H16O2.C8H18O/c1-3-5-7-9-11-12-10-8-6-4-2;1-7(2)5-9(10)6-8(3)4;1-3-4-5-6-7-10-8(2)9;1-2-3-4-5-6-7-8-9/h3-12H2,1-2H3;7-8H,5-6H2,1-4H3;3-7H2,1-2H3;9H,2-8H2,1H3