chloranylbenzene; 2,2-dimethylbutanoate

Systemtic Name: chloranylbenzene; 2,2-dimethylbutanoate Openeye Name: chlorobenzene; 2,2-dimethylbutanoate CAS Name: chlorobenzene; 2,2-dimethylbutanoate IUPAC Name: chlorobenzene; 2,2-dimethylbutanoate Traditional Name: chlorobenzene; 2,2-dimethylbutyrate Formula: C12H16ClO2- MolecularWeight: 227.70724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)[O-].C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C)(C)C(=O)[O-].C1=CC=C(C=C1)Cl

InChI

InChI=1S/C6H5Cl.C6H12O2/c7-6-4-2-1-3-5-6;1-4-6(2,3)5(7)8/h1-5H;4H2,1-3H3,(H,7,8)/p-1