Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(2,4,6-triiodo-
Basic information
- CAS
51134-93-1- Standard SMILES
O=C(CCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
LMNNBHSMSLESJO-UHFFFAOYSA-N- Molecular formula
- C22H18I6N2O8
- Average molar mass
- 1,199.8 g/mol
- Monoisotopic mass
- 1,199.5332
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(2,4,6-triiodo-
- IUPAC
- 3-[3-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 2799854BENZOIC ACID, 3,3'-(ETHYLENEBIS(OXYETHYLENECARBONYLIMINO))BIS(2,4,6-TRIIODO-51134-93-1DTXSID701991573,3'-Ethylenedioxybis(propionamido)bis(2,4,6-triiodobenzoic acid)RefChem:326945DTXCID00121648SCHEMBL121423833,3'-{Ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis(2,4,6-triiodobenzoic acid)
Database identifiers
- CAS
51134-93-1- PubChem CID
- 39904
- DTXSID
DTXSID70199157
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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