heptyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate

Systemtic Name: heptyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: heptyl 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid heptyl ester IUPAC Name: heptyl 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid heptyl ester Formula: C16H23ClO3 MolecularWeight: 298.80502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C16H23ClO3/c1-3-4-5-6-7-10-19-16(18)12-20-15-9-8-14(17)11-13(15)2/h8-9,11H,3-7,10,12H2,1-2H3