methyl 5-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(3,5-dichloro-4-hydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(3,5-dichloro-4-hydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3,5-dichloro-4-hydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(3,5-dichloro-4-hydroxy-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C14H18Cl2O3 MolecularWeight: 305.19692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C(=C1)Cl)O)Cl

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C(=C1)Cl)O)Cl

InChI

InChI=1S/C14H18Cl2O3/c1-14(2,6-4-5-12(17)19-3)9-7-10(15)13(18)11(16)8-9/h7-8,18H,4-6H2,1-3H3