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

Systemtic Name: 5-[2-[2-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]ethylsulfanyl]ethyl-(2-oxidanylethanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[2-[2-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodo-anilino]ethylsulfanyl]ethyl-(2-hydroxyacetyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[2-[2-[3,5-bis[[bis(2-hydroxyethyl)amino]-oxomethyl]-N-(2-hydroxy-1-oxoethyl)-2,4,6-triiodoanilino]ethylthio]ethyl-(2-hydroxy-1-oxoethyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[2-[2-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxyacetyl)-2,4,6-triiodoanilino]ethylsulfanyl]ethyl-(2-hydroxyacetyl)amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[2-[2-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-glycoloyl-2,4,6-triiodo-anilino]ethylthio]ethyl-glycoloyl-amino]-N,N,N',N'-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C40H54I6N6O16S MolecularWeight: 1668.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H54I6N6O16S/c41-29-25(37(65)47(1-11-53)2-12-54)31(43)35(32(44)26(29)38(66)48(3-13-55)4-14-56)51(23(63)21-61)9-19-69-20-10-52(24(64)22-62)36-33(45)27(39(67)49(5-15-57)6-16-58)30(42)28(34(36)46)40(68)50(7-17-59)8-18-60/h53-62H,1-22H2