Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-

3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

CAS: 26090-54-0

Molecular Formula	`C32H32I6N4O10`
Molecular Weight	1394.0 g/mol
LogP	3.2
Topological Polar Surface Area	192.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	17
Exact Mass	1393.6387
Heavy Atoms	52
Complexity	1220.0

Chemical Identifiers

CAS Number	26090-54-0
SMILES	`C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCOCCOCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I`
InChIKey	`KEPNWUOCHSRHGY-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo- (CAS: 26090-54-0) is a chemical compound with molecular formula C32H32I6N4O10 and molecular weight 1394.0 g/mol. Its IUPAC systematic name is 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid. LogP 3.2 Topological Polar Surface Area 192.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 17 Exact Mass 1393.6387 Heavy Atoms 52 Complexity 1220.0 InChI Key: KEPNWUOCHSRHGY-UHFFFAOYSA-N. SMILES: C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCOCCOCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I.

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