3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
| Molecular Formula | C20H14I6N2O6 |
|---|---|
| Molecular Weight | 1139.8 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 133.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 1139.512 |
| Heavy Atoms | 34 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 606-17-7 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I |
| InChIKey | FFINMCNLQNTKLU-UHFFFAOYSA-N |
📖 Product Overview
3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid (CAS: 606-17-7) is a chemical compound with molecular formula C20H14I6N2O6 and molecular weight 1139.8 g/mol. Its IUPAC systematic name is 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid.
FFINMCNLQNTKLU-UHFFFAOYSA-N.
SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I.
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