Basic information
- Standard SMILES
COCCOCOc1c(C=O)cc(CC(=O)OC)cc1-c1cc(S(=O)(=O)NC(C)(C)C)ccc1OC- InChIKey
JGUCPNSGIHHGDF-UHFFFAOYSA-N- Molecular formula
- C25H33NO9S
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.1876028
Names & identifiers
- Preferred name
- Methyl [5'-tert-butylsulfamoyl-5-formyl-2'-methoxy-6-(2-methoxyethoxymethoxy)biphenyl-3-yl]acetate
- IUPAC
- methyl 2-[3-[5-(tert-butylsulfamoyl)-2-methoxyphenyl]-5-formyl-4-(2-methoxyethoxymethoxy)phenyl]acetate
Names & synonyms
JGUCPNSGIHHGDF-UHFFFAOYSA-NMethyl [5'-tert-butylsulfamoyl-5-formyl-2'-methoxy-6-(2-methoxyethoxymethoxy)biphenyl-3-yl]acetateMethyl[5'-tert-butylsulfamoyl-5-formyl-2'-methoxy-6-(2-methoxyethoxymethoxy)biphenyl-3-yl]acetate
Database identifiers
- PubChem CID
- 86628079
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 792
Related reactions
3 records
Compound notes
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