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Basic information
- CAS
23847-25-8- Standard SMILES
COC(=O)c1cccc(S(=O)(=O)NS(=O)(=O)c2cccc(C(=O)OC)c2)c1- InChIKey
PZEGPNRDFAKEMO-UHFFFAOYSA-N- Molecular formula
- C16H15NO8S2
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.02390878
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl ester
- IUPAC
- methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
- English name
- 3,3'-[Iminobis(sulfonyl)]dibenzoic acid dimethyl ester
- Molecular formula
- C16H15NO8S2
- Molecular weight
- 413.42
Names & synonyms
Dimethyl 3,3'-(iminodisulfonyl)dibenzoateDTXSID50885248Benzoic acid, 3,3'-(iminobis(sulfonyl))bis-, 1,1'-dimethyl esterBenzoic acid, 3,3'-(iminobis(sulfonyl))bis-, dimethyl esterBenzoic acid, 3,3'-[iminobis(sulfonyl)]bis-, dimethyl esterBenzoic acid, 3,3'-[iminobis(sulfonyl)]bis-, 1,1'-dimethyl esterRefChem:565688DTXCID40102463923847-25-8SCHEMBL11278869PZEGPNRDFAKEMO-UHFFFAOYSA-NMethyl 3-{[3-(methoxycarbonyl)benzene-1-sulfonyl]sulfamoyl}benzoate
Show more names
3,3'-[Iminobis(sulfonyl)]dibenzoic acid dimethyl ester
Database identifiers
- CAS
23847-25-8- PubChem CID
- 90283
- DTXSID
DTXSID50885248
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzoic acid, 3,3'-[iminobis(sulfonyl)]bis-, dimethyl ester (23847-25-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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