phenyl ethanoate; 2,2,2-tris(chloranyl)-1-phenyl-ethanol

Systemtic Name: phenyl ethanoate; 2,2,2-tris(chloranyl)-1-phenyl-ethanol Openeye Name: phenyl acetate; 2,2,2-trichloro-1-phenyl-ethanol CAS Name: acetic acid phenyl ester; 2,2,2-trichloro-1-phenylethanol IUPAC Name: phenyl acetate; 2,2,2-trichloro-1-phenylethanol Traditional Name: acetic acid phenyl ester; 2,2,2-trichloro-1-phenyl-ethanol Formula: C16H15Cl3O3 MolecularWeight: 361.6475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1.C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1.C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C8H7Cl3O.C8H8O2/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-7(9)10-8-5-3-2-4-6-8/h1-5,7,12H;2-6H,1H3