actinium; [(4E)-10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2,3,5,7,9,11,13-heptamethyl-6,12,14-tris(oxidanylidene)-1-oxacyclotetradec-4-en-3-yl] pyrrole-1-carboxylate

Systemtic Name: actinium; [(4E)-10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2,3,5,7,9,11,13-heptamethyl-6,12,14-tris(oxidanylidene)-1-oxacyclotetradec-4-en-3-yl] pyrrole-1-carboxylate Openeye Name: actinium; [(4E)-10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,5,7,9,11,13-heptamethyl-6,12,14-trioxo-1-oxacyclotetradec-4-en-3-yl] pyrrole-1-carboxylate CAS Name: actinium; 1-pyrrolecarboxylic acid [(4E)-10-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2,3,5,7,9,11,13-heptamethyl-6,12,14-trioxo-1-oxacyclotetradec-4-en-3-yl] ester IUPAC Name: actinium; [(4E)-10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,3,5,7,9,11,13-heptamethyl-6,12,14-trioxo-1-oxacyclotetradec-4-en-3-yl] pyrrole-1-carboxylate Traditional Name: actinium; pyrrole-1-carboxylic acid [(4E)-10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,12,14-triketo-2,3,5,7,9,11,13-heptamethyl-1-oxacyclotetradec-4-en-3-yl] ester Formula: C33H50AcN2O9 MolecularWeight: 845.785847

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(=CC(C(OC(=O)C(C(=O)C(C1OC2C(C(CC(O2)C)N(C)C)O)C)C)C)(C)OC(=O)N3C=CC=C3)C)C.[Ac]

Isomeric SMILES

CC1CC(C(=O)/C(=C/C(C(OC(=O)C(C(=O)C(C1OC2C(C(CC(O2)C)N(C)C)O)C)C)C)(C)OC(=O)N3C=CC=C3)/C)C.[Ac]

InChI

InChI=1S/C33H50N2O9.Ac/c1-18-15-19(2)29(43-31-28(38)25(34(9)10)16-21(4)41-31)22(5)27(37)23(6)30(39)42-24(7)33(8,17-20(3)26(18)36)44-32(40)35-13-11-12-14-35;/h11-14,17-19,21-25,28-29,31,38H,15-16H2,1-10H3;/b20-17+;