2-phenylethanoic acid; 2,2,2-tris(chloranyl)ethyl carbamate

Systemtic Name: 2-phenylethanoic acid; 2,2,2-tris(chloranyl)ethyl carbamate Openeye Name: 2-phenylacetic acid; 2,2,2-trichloroethyl carbamate CAS Name: carbamic acid 2,2,2-trichloroethyl ester; 2-phenylacetic acid IUPAC Name: 2-phenylacetic acid; 2,2,2-trichloroethyl carbamate Traditional Name: carbamic acid 2,2,2-trichloroethyl ester; 2-phenylacetic acid Formula: C11H12Cl3NO4 MolecularWeight: 328.57628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C(C(Cl)(Cl)Cl)OC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C(C(Cl)(Cl)Cl)OC(=O)N

InChI

InChI=1S/C8H8O2.C3H4Cl3NO2/c9-8(10)6-7-4-2-1-3-5-7;4-3(5,6)1-9-2(7)8/h1-5H,6H2,(H,9,10);1H2,(H2,7,8)