3,3-dimethyloxiran-2-one; 2-phenylethanoate

Systemtic Name: 3,3-dimethyloxiran-2-one; 2-phenylethanoate Openeye Name: 3,3-dimethyloxiran-2-one; 2-phenylacetate CAS Name: 3,3-dimethyl-2-oxiranone; 2-phenylacetate IUPAC Name: 3,3-dimethyloxiran-2-one; 2-phenylacetate Traditional Name: 3,3-dimethyloxiran-2-one; 2-phenylacetate Formula: C12H13O4- MolecularWeight: 221.22922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)O1)C.C1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CC1(C(=O)O1)C.C1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C8H8O2.C4H6O2/c9-8(10)6-7-4-2-1-3-5-7;1-4(2)3(5)6-4/h1-5H,6H2,(H,9,10);1-2H3/p-1