methyl 3-(2-chloroethyl)-2,4,5-trimethyl-6-oxidanyl-benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-2,4,5-trimethyl-6-oxidanyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-3,4,6-trimethyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-3,4,6-trimethylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-3,4,6-trimethylbenzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-3,4,6-trimethyl-benzoic acid methyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)O)C(=O)OC)C)CCCl

Isomeric SMILES

CC1=C(C(=C(C(=C1C)O)C(=O)OC)C)CCCl

InChI

InChI=1S/C13H17ClO3/c1-7-8(2)12(15)11(13(16)17-4)9(3)10(7)5-6-14/h15H,5-6H2,1-4H3