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

Systemtic Name: 5-[[4-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2,3-bis(oxidanyl)butyl]-(2-oxidanylethanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodo-anilino]-2,3-dihydroxy-butyl]-(2-hydroxyacetyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[4-[3,5-bis[[bis(2-hydroxyethyl)amino]-oxomethyl]-N-(2-hydroxy-1-oxoethyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxy-1-oxoethyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxyacetyl)amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-glycoloyl-2,4,6-triiodo-anilino]-2,3-dihydroxy-butyl]-glycoloyl-amino]-N,N,N',N'-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C40H54I6N6O18 MolecularWeight: 1668.31298

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H54I6N6O18/c41-29-25(37(67)47(1-9-53)2-10-54)31(43)35(32(44)26(29)38(68)48(3-11-55)4-12-56)51(23(65)19-61)17-21(63)22(64)18-52(24(66)20-62)36-33(45)27(39(69)49(5-13-57)6-14-58)30(42)28(34(36)46)40(70)50(7-15-59)8-16-60/h21-22,53-64H,1-20H2