actinium; [(2R,5R,6S)-3,4,5-triacetyloxy-6-indol-1-id-3-yloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: actinium; [(2R,5R,6S)-3,4,5-triacetyloxy-6-indol-1-id-3-yloxy-oxan-2-yl]methyl ethanoate Openeye Name: actinium; [(2R,5R,6S)-3,4,5-triacetoxy-6-indol-1-id-3-yloxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,5R,6S)-3,4,5-triacetyloxy-6-(3-indol-1-idyloxy)-2-oxanyl]methyl ester; actinium IUPAC Name: actinium; [(2R,5R,6S)-3,4,5-triacetyloxy-6-indol-1-id-3-yloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,5R,6S)-3,4,5-triacetoxy-6-indol-1-id-3-yloxy-tetrahydropyran-2-yl]methyl ester; actinium Formula: C22H24AcNO10- MolecularWeight: 689.454407

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=C[N-]C3=CC=CC=C32)OC(=O)C)OC(=O)C)OC(=O)C.[Ac]

Isomeric SMILES

CC(=O)OC[C@@H]1C(C([C@H]([C@@H](O1)OC2=C[N-]C3=CC=CC=C32)OC(=O)C)OC(=O)C)OC(=O)C.[Ac]

InChI

InChI=1S/C22H24NO10.Ac/c1-11(24)28-10-18-19(29-12(2)25)20(30-13(3)26)21(31-14(4)27)22(33-18)32-17-9-23-16-8-6-5-7-15(16)17;/h5-9,18-22H,10H2,1-4H3;/q-1;/t18-,19?,20?,21-,22-;/m1./s1