Iotasul

CAS Registry Number®

71767-13-0

CAS Name

Iotasul

Molecular Formula

C38H50I6N6O14S

Molecular Mass

1608.33

Cite this Page

Iotasul.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71767-13-0 (retrieved 2025-01-03) (CAS RN: 71767-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)

InChIKey

InChIKey=OQHLOKBHRXMXLD-UHFFFAOYSA-N

SMILES

C(N(CC(CO)O)C)(=O)C1=C(I)C(C(N(CC(CO)O)C)=O)=C(I)C(NC(CCSCCC(NC2=C(I)C(C(N(CC(CO)O)C)=O)=C(I)C(C(N(CC(CO)O)C)=O)=C2I)=O)=O)=C1I

Canonical SMILES

O=C(C1=C(I)C(NC(=O)CCSCCC(=O)NC=2C(I)=C(C(=O)N(C)CC(O)CO)C(I)=C(C(=O)N(C)CC(O)CO)C2I)=C(I)C(C(=O)N(C)CC(O)CO)=C1I)N(C)CC(O)CO

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, 5,5′-[thiobis[(1-oxo-3,1-propanediyl)imino]]bis[N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-
  • 1,3-Benzenedicarboxamide, 5,5′-[thiobis[(1-oxo-3,1-propanediyl)imino]]bis[N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N′-dimethyl-
  • 5,5′-[Thiobis[(1-oxo-3,1-propanediyl)imino]]bis[N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-1,3-benzenedicarboxamide
  • Iotasul

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