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Details

Stereochemistry ACHIRAL
Molecular Formula C35H28I9N7O13
Molecular Weight 1896.7762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3?-[[5-(Acetylmethylamino)-2,4,6-triiodo-1,3-phenylene]bis(carbonyliminomethylenecarbonylimino)]bis[5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic] acid

SMILES

CN(C(C)=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C2I)=C(I)C(C(=O)NCC(=O)NC3=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C3I)=C1I

InChI

InChIKey=GDRLJKAGNRQATK-UHFFFAOYSA-N
InChI=1S/C35H28I9N7O13/c1-9(54)51(2)29-25(43)14(32(59)47-7-10(55)49-27-21(39)12(30(57)45-3-5-52)19(37)16(23(27)41)34(61)62)18(36)15(26(29)44)33(60)48-8-11(56)50-28-22(40)13(31(58)46-4-6-53)20(38)17(24(28)42)35(63)64/h52-53H,3-8H2,1-2H3,(H,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,55)(H,50,56)(H,61,62)(H,63,64)

HIDE SMILES / InChI

Molecular Formula C35H28I9N7O13
Molecular Weight 1896.7762
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
KV86B47DA2
Record Status Validated (UNII)
Record Version