2-(4-chlorophenyl)-4-ethyl-hexane-2,4-diol

Systemtic Name: 2-(4-chlorophenyl)-4-ethyl-hexane-2,4-diol Openeye Name: 2-(4-chlorophenyl)-4-ethyl-hexane-2,4-diol CAS Name: 2-(4-chlorophenyl)-4-ethylhexane-2,4-diol IUPAC Name: 2-(4-chlorophenyl)-4-ethylhexane-2,4-diol Traditional Name: 2-(4-chlorophenyl)-4-ethyl-hexane-2,4-diol Formula: C14H21ClO2 MolecularWeight: 256.76834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(C)(C1=CC=C(C=C1)Cl)O)O

Isomeric SMILES

CCC(CC)(CC(C)(C1=CC=C(C=C1)Cl)O)O

InChI

InChI=1S/C14H21ClO2/c1-4-14(17,5-2)10-13(3,16)11-6-8-12(15)9-7-11/h6-9,16-17H,4-5,10H2,1-3H3