3-iodanylprop-2-ynyl 3,4-dimethylbenzoate

Systemtic Name: 3-iodanylprop-2-ynyl 3,4-dimethylbenzoate Openeye Name: 3-iodoprop-2-ynyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid 3-iodoprop-2-ynyl ester Formula: C12H11IO2 MolecularWeight: 314.11901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC#CI)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC#CI)C

InChI

InChI=1S/C12H11IO2/c1-9-4-5-11(8-10(9)2)12(14)15-7-3-6-13/h4-5,8H,7H2,1-2H3