[5-[2-[[2-[[[2-[5-[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl-3-(2-hydroxyethylcarbamoyl)-2,4-bis(iodanyl)phenoxy]-2-iodanyl-ethanoyl]amino]methyl]-2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-1-iodanyl-2-oxidanylidene-ethoxy]-3-(2-hydroxyethylcarbamoyl)-2,4-bis(iodanyl)phenyl]carbonyl-bis(oxidanyl)-propan-2-yl-azanium

Systemtic Name: [5-[2-[[2-[[[2-[5-[bis(oxidanyl)-propan-2-yl-azaniumyl]carbonyl-3-(2-hydroxyethylcarbamoyl)-2,4-bis(iodanyl)phenoxy]-2-iodanyl-ethanoyl]amino]methyl]-2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-1-iodanyl-2-oxidanylidene-ethoxy]-3-(2-hydroxyethylcarbamoyl)-2,4-bis(iodanyl)phenyl]carbonyl-bis(oxidanyl)-propan-2-yl-azanium Openeye Name: [5-[2-[[2-[[[2-[5-[dihydroxy(isopropyl)ammonio]carbonyl-3-(2-hydroxyethylcarbamoyl)-2,4-diiodo-phenoxy]-2-iodo-acetyl]amino]methyl]-3-hydroxy-2-(hydroxymethyl)propyl]amino]-1-iodo-2-oxo-ethoxy]-3-(2-hydroxyethylcarbamoyl)-2,4-diiodo-benzoyl]-dihydroxy-isopropyl-ammonium CAS Name: [[5-[2-[[2-[[[2-[5-[[dihydroxy(propan-2-yl)ammonio]-oxomethyl]-3-[(2-hydroxyethylamino)-oxomethyl]-2,4-diiodophenoxy]-2-iodo-1-oxoethyl]amino]methyl]-3-hydroxy-2-(hydroxymethyl)propyl]amino]-1-iodo-2-oxoethoxy]-3-[(2-hydroxyethylamino)-oxomethyl]-2,4-diiodophenyl]-oxomethyl]-dihydroxy-propan-2-ylammonium IUPAC Name: [5-[2-[[2-[[[2-[5-[dihydroxy(propan-2-yl)azaniumyl]carbonyl-3-(2-hydroxyethylcarbamoyl)-2,4-diiodophenoxy]-2-iodoacetyl]amino]methyl]-3-hydroxy-2-(hydroxymethyl)propyl]amino]-1-iodo-2-oxoethoxy]-3-(2-hydroxyethylcarbamoyl)-2,4-diiodobenzoyl]-dihydroxy-propan-2-ylazanium Traditional Name: [5-[2-[[2-[[[2-[5-[dihydroxy(isopropyl)ammonio]carbonyl-3-(2-hydroxyethylcarbamoyl)-2,4-diiodo-phenoxy]-2-iodo-acetyl]amino]methyl]-3-hydroxy-2-methylol-propyl]amino]-1-iodo-2-keto-ethoxy]-3-(2-hydroxyethylcarbamoyl)-2,4-diiodo-benzoyl]-dihydroxy-isopropyl-ammonium Formula: C35H46I6N6O16+2 MolecularWeight: 1568.19716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C(=O)C1=CC(=C(C(=C1I)C(=O)NCCO)I)OC(C(=O)NCC(CNC(=O)C(OC2=C(C(=C(C(=C2)C(=O)[N+](C(C)C)(O)O)I)C(=O)NCCO)I)I)(CO)CO)I)(O)O

Isomeric SMILES

CC(C)[N+](C(=O)C1=CC(=C(C(=C1I)C(=O)NCCO)I)OC(C(=O)NCC(CNC(=O)C(OC2=C(C(=C(C(=C2)C(=O)[N+](C(C)C)(O)O)I)C(=O)NCCO)I)I)(CO)CO)I)(O)O

InChI

InChI=1S/C35H44I6N6O16/c1-15(2)46(58,59)33(56)17-9-19(25(38)21(23(17)36)29(52)42-5-7-48)62-27(40)31(54)44-11-35(13-50,14-51)12-45-32(55)28(41)63-20-10-18(34(57)47(60,61)16(3)4)24(37)22(26(20)39)30(53)43-6-8-49/h9-10,15-16,27-28,48-51,58-61H,5-8,11-14H2,1-4H3,(H2-2,42,43,44,45,52,53,54,55)/p+2