2-(4-chloranyl-2-methyl-phenoxy)-4-ethyl-2-methyl-octanoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-4-ethyl-2-methyl-octanoic acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-4-ethyl-2-methyl-octanoic acid CAS Name: 2-(4-chloro-2-methylphenoxy)-4-ethyl-2-methyloctanoic acid IUPAC Name: 2-(4-chloro-2-methylphenoxy)-4-ethyl-2-methyloctanoic acid Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-4-ethyl-2-methyl-caprylic acid Formula: C18H27ClO3 MolecularWeight: 326.85818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C)(C(=O)O)OC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCCCC(CC)CC(C)(C(=O)O)OC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C18H27ClO3/c1-5-7-8-14(6-2)12-18(4,17(20)21)22-16-10-9-15(19)11-13(16)3/h9-11,14H,5-8,12H2,1-4H3,(H,20,21)