2-(4-iodanyl-5-oxidanylidene-cyclohex-3-en-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-iodanyl-5-oxidanylidene-cyclohex-3-en-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-iodo-5-oxo-cyclohex-3-en-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-iodo-5-oxo-1-cyclohex-3-enyl)ethyl ester IUPAC Name: 2-(4-iodo-5-oxocyclohex-3-en-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-iodo-5-keto-cyclohex-3-en-1-yl)ethyl ester Formula: C15H17IO4S MolecularWeight: 420.26255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CC=C(C(=O)C2)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CC=C(C(=O)C2)I

InChI

InChI=1S/C15H17IO4S/c1-11-2-5-13(6-3-11)21(18,19)20-9-8-12-4-7-14(16)15(17)10-12/h2-3,5-7,12H,4,8-10H2,1H3