methyl 7-iodanyl-6-oxidanylidene-2-(phenylsulfonyl)heptanoate

Systemtic Name: methyl 7-iodanyl-6-oxidanylidene-2-(phenylsulfonyl)heptanoate Openeye Name: methyl 2-(benzenesulfonyl)-7-iodo-6-oxo-heptanoate CAS Name: 2-(benzenesulfonyl)-7-iodo-6-oxoheptanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-7-iodo-6-oxoheptanoate Traditional Name: 2-besyl-7-iodo-6-keto-enanthic acid methyl ester Formula: C14H17IO5S MolecularWeight: 424.25125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(=O)CI)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCCC(=O)CI)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17IO5S/c1-20-14(17)13(9-5-6-11(16)10-15)21(18,19)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3