Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(methylcarbamoyl)-2,4,6-triiodo-
Basic information
- CAS
51211-03-1- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I- InChIKey
JVYKDNBEAASPBV-UHFFFAOYSA-N- Molecular formula
- C30H32I6N4O12
- Average molar mass
- 1,402 g/mol
- Monoisotopic mass
- 1,401.6285
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(methylcarbamoyl)-2,4,6-triiodo-
- IUPAC
- 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Names & synonyms
BRN 280085151211-03-1Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(methylcarbamoyl)-2,4,6-triiodo-DTXSID00199221RefChem:326950DTXCID301217123,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]
Database identifiers
- CAS
51211-03-1- PubChem CID
- 39935
- DTXSID
DTXSID00199221
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,140
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Compound notes
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