actinium; 5-azido-2-(hydroxymethyl)-6-(phenylsulfinyl)oxane-3,4-diol

Systemtic Name: actinium; 5-azido-2-(hydroxymethyl)-6-(phenylsulfinyl)oxane-3,4-diol Openeye Name: actinium; 5-azido-6-(benzenesulfinyl)-2-(hydroxymethyl)tetrahydropyran-3,4-diol CAS Name: actinium; 5-azido-6-(benzenesulfinyl)-2-(hydroxymethyl)oxane-3,4-diol IUPAC Name: actinium; 5-azido-6-(benzenesulfinyl)-2-(hydroxymethyl)oxane-3,4-diol Traditional Name: actinium; 5-azido-6-(benzenesulfinyl)-2-methylol-tetrahydropyran-3,4-diol Formula: C12H15Ac3N3O5S MolecularWeight: 994.412841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2C(C(C(C(O2)CO)O)O)N=[N+]=[N-].[Ac].[Ac].[Ac]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2C(C(C(C(O2)CO)O)O)N=[N+]=[N-].[Ac].[Ac].[Ac]

InChI

InChI=1S/C12H15N3O5S.3Ac/c13-15-14-9-11(18)10(17)8(6-16)20-12(9)21(19)7-4-2-1-3-5-7;;;/h1-5,8-12,16-18H,6H2;;;