2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-iodanyl-isoquinolin-1-one

Systemtic Name: 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-iodanyl-isoquinolin-1-one Openeye Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-iodo-isoquinolin-1-one CAS Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-iodo-1-isoquinolinone IUPAC Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodoisoquinolin-1-one Traditional Name: 2-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-iodo-isocarbostyril Formula: C14H14INO4 MolecularWeight: 387.16973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C3=CC=CC=C3C2=O)I)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C3=CC=CC=C3C2=O)I)CO)O

InChI

InChI=1S/C14H14INO4/c15-10-6-16(13-5-11(18)12(7-17)20-13)14(19)9-4-2-1-3-8(9)10/h1-4,6,11-13,17-18H,5,7H2/t11-,12+,13+/m0/s1