[3-[[4-[[3,5-bis[[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2,3-bis(oxidanyl)butyl]-(2-oxidanylethanoyl)amino]-5-[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl-2,4,6-tris(iodanyl)phenyl]carbonyl-bis(oxidanyl)-propan-2-yl-azanium

Systemtic Name: [3-[[4-[[3,5-bis[[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2,3-bis(oxidanyl)butyl]-(2-oxidanylethanoyl)amino]-5-[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl-2,4,6-tris(iodanyl)phenyl]carbonyl-bis(oxidanyl)-propan-2-yl-azanium Openeye Name: [3-[[4-[3,5-bis[[dihydroxy(isopropyl)ammonio]carbonyl]-N-(2-hydroxyacetyl)-2,4,6-triiodo-anilino]-2,3-dihydroxy-butyl]-(2-hydroxyacetyl)amino]-5-[dihydroxy(isopropyl)ammonio]carbonyl-2,4,6-triiodo-benzoyl]-dihydroxy-isopropyl-ammonium CAS Name: [[3-[[4-[3,5-bis[[dihydroxy(propan-2-yl)ammonio]-oxomethyl]-N-(2-hydroxy-1-oxoethyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxy-1-oxoethyl)amino]-5-[[dihydroxy(propan-2-yl)ammonio]-oxomethyl]-2,4,6-triiodophenyl]-oxomethyl]-dihydroxy-propan-2-ylammonium IUPAC Name: [3-[[4-[3,5-bis[[dihydroxy(propan-2-yl)azaniumyl]carbonyl]-N-(2-hydroxyacetyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxyacetyl)amino]-5-[dihydroxy(propan-2-yl)azaniumyl]carbonyl-2,4,6-triiodobenzoyl]-dihydroxy-propan-2-ylazanium Traditional Name: [3-[[4-[3,5-bis[[dihydroxy(isopropyl)ammonio]carbonyl]-N-glycoloyl-2,4,6-triiodo-anilino]-2,3-dihydroxy-butyl]-glycoloyl-amino]-5-[dihydroxy(isopropyl)ammonio]carbonyl-2,4,6-triiodo-benzoyl]-dihydroxy-isopropyl-ammonium Formula: C36H50I6N6O18+4 MolecularWeight: 1616.23842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C(=O)C1=C(C(=C(C(=C1I)N(CC(C(CN(C2=C(C(=C(C(=C2I)C(=O)[N+](C(C)C)(O)O)I)C(=O)[N+](C(C)C)(O)O)I)C(=O)CO)O)O)C(=O)CO)I)C(=O)[N+](C(C)C)(O)O)I)(O)O

Isomeric SMILES

CC(C)[N+](C(=O)C1=C(C(=C(C(=C1I)N(CC(C(CN(C2=C(C(=C(C(=C2I)C(=O)[N+](C(C)C)(O)O)I)C(=O)[N+](C(C)C)(O)O)I)C(=O)CO)O)O)C(=O)CO)I)C(=O)[N+](C(C)C)(O)O)I)(O)O

InChI

InChI=1S/C36H50I6N6O18/c1-13(2)45(59,60)33(55)21-25(37)22(34(56)46(61,62)14(3)4)28(40)31(27(21)39)43(19(53)11-49)9-17(51)18(52)10-44(20(54)12-50)32-29(41)23(35(57)47(63,64)15(5)6)26(38)24(30(32)42)36(58)48(65,66)16(7)8/h13-18,49-52,59-66H,9-12H2,1-8H3/q+4