potassium; 6-azanyl-5-iodanyl-1H-pyrimidin-2-one; 4-[2,5-bis(oxidanyl)-4-(12-phenoxydodecanoyloxy)oxan-3-yl]oxycarbonylfuran-3-carboxylate

Systemtic Name: potassium; 6-azanyl-5-iodanyl-1H-pyrimidin-2-one; 4-[2,5-bis(oxidanyl)-4-(12-phenoxydodecanoyloxy)oxan-3-yl]oxycarbonylfuran-3-carboxylate Openeye Name: potassium; 6-amino-5-iodo-1H-pyrimidin-2-one; 4-[2,5-dihydroxy-4-(12-phenoxydodecanoyloxy)tetrahydropyran-3-yl]oxycarbonylfuran-3-carboxylate CAS Name: potassium; 6-amino-5-iodo-1H-pyrimidin-2-one; 4-[[2,5-dihydroxy-4-(1-oxo-12-phenoxydodecoxy)-3-oxanyl]oxy-oxomethyl]-3-furancarboxylate IUPAC Name: potassium; 6-amino-5-iodo-1H-pyrimidin-2-one; 4-[2,5-dihydroxy-4-(12-phenoxydodecanoyloxy)oxan-3-yl]oxycarbonylfuran-3-carboxylate Traditional Name: potassium; 6-amino-5-iodo-1H-pyrimidin-2-one; 4-[2,5-dihydroxy-4-(12-phenoxydodecanoyloxy)tetrahydropyran-3-yl]oxycarbonyl-3-furoate Formula: C33H41IKN3O12 MolecularWeight: 837.69431

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)O)OC(=O)C2=COC=C2C(=O)[O-])OC(=O)CCCCCCCCCCCOC3=CC=CC=C3)O.C1=NC(=O)NC(=C1I)N.[K+]

Isomeric SMILES

C1C(C(C(C(O1)O)OC(=O)C2=COC=C2C(=O)[O-])OC(=O)CCCCCCCCCCCOC3=CC=CC=C3)O.C1=NC(=O)NC(=C1I)N.[K+]

InChI

InChI=1S/C29H38O11.C4H4IN3O.K/c30-23-19-38-29(35)26(40-28(34)22-18-36-17-21(22)27(32)33)25(23)39-24(31)15-11-6-4-2-1-3-5-7-12-16-37-20-13-9-8-10-14-20;5-2-1-7-4(9)8-3(2)6;/h8-10,13-14,17-18,23,25-26,29-30,35H,1-7,11-12,15-16,19H2,(H,32,33);1H,(H3,6,7,8,9);/q;;+1/p-1