actinium; [5-azido-6-(6-ethanimidoyloxy-2,4-dimethyl-5-oxidanyl-oxan-3-yl)oxy-2-ethyl-4-methyl-oxan-3-yl]oxysulfanylboron

Systemtic Name: actinium; [5-azido-6-(6-ethanimidoyloxy-2,4-dimethyl-5-oxidanyl-oxan-3-yl)oxy-2-ethyl-4-methyl-oxan-3-yl]oxysulfanylboron Openeye Name: actinium; [5-azido-6-(6-ethanimidoyloxy-5-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl)oxy-2-ethyl-4-methyl-tetrahydropyran-3-yl]oxysulfanylboron CAS Name: actinium; [[5-azido-2-ethyl-6-[[5-hydroxy-6-(1-iminoethoxy)-2,4-dimethyl-3-oxanyl]oxy]-4-methyl-3-oxanyl]oxythio]boron IUPAC Name: actinium; [5-azido-6-(6-ethanimidoyloxy-5-hydroxy-2,4-dimethyloxan-3-yl)oxy-2-ethyl-4-methyloxan-3-yl]oxysulfanylboron Traditional Name: [[6-(6-acetimidoyloxy-5-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl)oxy-5-azido-2-ethyl-4-methyl-tetrahydropyran-3-yl]oxythio]boron; actinium Formula: C17H29AcBN4O6S MolecularWeight: 655.339107

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Descriptors Computed from Structure

Canonical SMILES:

[B]SOC1C(C(C(OC1CC)OC2C(C(C(OC2C)OC(=N)C)O)C)N=[N+]=[N-])C.[Ac]

Isomeric SMILES

[B]SOC1C(C(C(OC1CC)OC2C(C(C(OC2C)OC(=N)C)O)C)N=[N+]=[N-])C.[Ac]

InChI

InChI=1S/C17H29BN4O6S.Ac/c1-6-11-15(28-29-18)7(2)12(21-22-20)16(26-11)27-14-8(3)13(23)17(24-9(14)4)25-10(5)19;/h7-9,11-17,19,23H,6H2,1-5H3;