actinium; methyl 4-[2-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxidanyl-oxan-2-yl]sulfanylethylamino]-4-oxidanylidene-butanoate

Systemtic Name: actinium; methyl 4-[2-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxidanyl-oxan-2-yl]sulfanylethylamino]-4-oxidanylidene-butanoate Openeye Name: actinium; methyl 4-[2-[4,5-diacetoxy-6-(acetoxymethyl)-3-hydroxy-tetrahydropyran-2-yl]sulfanylethylamino]-4-oxo-butanoate CAS Name: actinium; 4-[2-[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxy-2-oxanyl]thio]ethylamino]-4-oxobutanoic acid methyl ester IUPAC Name: actinium; methyl 4-[2-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxyoxan-2-yl]sulfanylethylamino]-4-oxobutanoate Traditional Name: actinium; 4-[2-[[4,5-diacetoxy-6-(acetoxymethyl)-3-hydroxy-tetrahydropyran-2-yl]thio]ethylamino]-4-keto-butyric acid methyl ester Formula: C19H29AcNO11S MolecularWeight: 706.526407

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCNC(=O)CCC(=O)OC)O)OC(=O)C)OC(=O)C.[Ac]

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCCNC(=O)CCC(=O)OC)O)OC(=O)C)OC(=O)C.[Ac]

InChI

InChI=1S/C19H29NO11S.Ac/c1-10(21)28-9-13-17(29-11(2)22)18(30-12(3)23)16(26)19(31-13)32-8-7-20-14(24)5-6-15(25)27-4;/h13,16-19,26H,5-9H2,1-4H3,(H,20,24);