[(2R,4R)-4-iodanylpentan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [(2R,4R)-4-iodanylpentan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [(1R,3R)-3-iodo-1-methyl-butyl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [(2R,4R)-4-iodopentan-2-yl] ester IUPAC Name: [(2R,4R)-4-iodopentan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [(1R,3R)-3-iodo-1-methyl-butyl] ester Formula: C17H22INO3S MolecularWeight: 447.33095

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)I)OS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

C[C@H](C[C@@H](C)I)OS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C17H22INO3S/c1-12(18)11-13(2)22-23(20,21)17-10-6-7-14-15(17)8-5-9-16(14)19(3)4/h5-10,12-13H,11H2,1-4H3/t12-,13-/m1/s1