phenyl 4-iodanyl-1-(2-methylpropyl)pyrrole-3-sulfonate

Systemtic Name: phenyl 4-iodanyl-1-(2-methylpropyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-iodo-1-isobutyl-pyrrole-3-sulfonate CAS Name: 4-iodo-1-(2-methylpropyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-iodo-1-(2-methylpropyl)pyrrole-3-sulfonate Traditional Name: 4-iodo-1-isobutyl-pyrrole-3-sulfonic acid phenyl ester Formula: C14H16INO3S MolecularWeight: 405.25121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=C1)I)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C=C(C(=C1)I)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H16INO3S/c1-11(2)8-16-9-13(15)14(10-16)20(17,18)19-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3