5-[[3-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2-oxidanyl-propyl]-(2-oxidanylethanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-[[3-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2-oxidanyl-propyl]-(2-oxidanylethanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[[3-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodo-anilino]-2-hydroxy-propyl]-(2-hydroxyacetyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[3-[3,5-bis[[bis(2-hydroxyethyl)amino]-oxomethyl]-N-(2-hydroxy-1-oxoethyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-(2-hydroxy-1-oxoethyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[[3-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-(2-hydroxyacetyl)amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[[3-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-glycoloyl-2,4,6-triiodo-anilino]-2-hydroxy-propyl]-glycoloyl-amino]-N,N,N',N'-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C39H52I6N6O17 MolecularWeight: 1638.287

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)N(CC(CN(C2=C(C(=C(C(=C2I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I)C(=O)CO)O)C(=O)CO)I)C(=O)N(CCO)CCO)I

Isomeric SMILES

C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)N(CC(CN(C2=C(C(=C(C(=C2I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I)C(=O)CO)O)C(=O)CO)I)C(=O)N(CCO)CCO)I

InChI

InChI=1S/C39H52I6N6O17/c40-28-24(36(65)46(1-9-52)2-10-53)30(42)34(31(43)25(28)37(66)47(3-11-54)4-12-55)50(22(63)19-60)17-21(62)18-51(23(64)20-61)35-32(44)26(38(67)48(5-13-56)6-14-57)29(41)27(33(35)45)39(68)49(7-15-58)8-16-59/h21,52-62H,1-20H2