2-(6-iodanyl-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(6-iodanyl-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(6-iodo-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6-iodo-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 2-(6-iodo-1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6-iodo-1,3-benzodioxol-5-yl)ethyl ester Formula: C16H15IO5S MolecularWeight: 446.25677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2I)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2I)OCO3

InChI

InChI=1S/C16H15IO5S/c1-11-2-4-13(5-3-11)23(18,19)22-7-6-12-8-15-16(9-14(12)17)21-10-20-15/h2-5,8-9H,6-7,10H2,1H3