2-[2-(2-chloranyl-4-methyl-phenoxy)ethylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[2-(2-chloranyl-4-methyl-phenoxy)ethylamino]ethanol; ethanedioic acid Openeye Name: 2-[2-(2-chloro-4-methyl-phenoxy)ethylamino]ethanol; oxalic acid CAS Name: 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol; oxalic acid Traditional Name: 2-[2-(2-chloro-4-methyl-phenoxy)ethylamino]ethanol; oxalic acid Formula: C13H18ClNO6 MolecularWeight: 319.73812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNCCO)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNCCO)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16ClNO2.C2H2O4/c1-9-2-3-11(10(12)8-9)15-7-5-13-4-6-14;3-1(4)2(5)6/h2-3,8,13-14H,4-7H2,1H3;(H,3,4)(H,5,6)