(4-bromanyl-6-methyl-2-prop-2-enyl-pyridin-3-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (4-bromanyl-6-methyl-2-prop-2-enyl-pyridin-3-yl) 4-chloranylbenzenesulfonate Openeye Name: (2-allyl-4-bromo-6-methyl-3-pyridyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (4-bromo-6-methyl-2-prop-2-enyl-3-pyridinyl) ester IUPAC Name: (4-bromo-6-methyl-2-prop-2-enylpyridin-3-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-allyl-4-bromo-6-methyl-3-pyridyl) ester Formula: C15H13BrClNO3S MolecularWeight: 402.69062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)Cl)CC=C

Isomeric SMILES

CC1=NC(=C(C(=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)Cl)CC=C

InChI

InChI=1S/C15H13BrClNO3S/c1-3-4-14-15(13(16)9-10(2)18-14)21-22(19,20)12-7-5-11(17)6-8-12/h3,5-9H,1,4H2,2H3