Basic information
- CAS
17401-50-2- Standard SMILES
O=C(O)c1ccccc1OS(=O)(=O)c1cccc(-c2cccc(S(=O)(=O)Oc3ccccc3C(=O)O)c2)c1- InChIKey
XJRJMDCIUQVYSI-UHFFFAOYSA-N- Molecular formula
- C26H18O10S2
- Average molar mass
- 554.5 g/mol
- Monoisotopic mass
- 554.03413911
Names & identifiers
- Preferred name
- Biphenyl-5,5'-disulfonic acid, bis(salicylate)
- IUPAC
- 2-[3-[3-(2-carboxyphenoxy)sulfonylphenyl]phenyl]sulfonyloxybenzoic acid
- English name
- Biphenyl-5,5'-disulfonic acid, bis(salicylate)
- Molecular formula
- C26H18O10S2
- Molecular weight
- 554.55
Names & synonyms
17401-50-2Biphenyl-5,5'-disulfonylbis(salicylate)BIPHENYL-5,5'-DISULFONIC ACID, BIS(SALICYLATE)DTXSID00169747RefChem:329481DTXCID1092238Biphenyl-5,5/'-disulfonic acid, bis(salicylate)2-[3-[3-(2-carboxyphenoxy)sulfonylphenyl]phenyl]sulfonyloxybenzoic acid2,2'-[[1,1'-Biphenyl]-3,3'-diylbis(sulfonyloxy)]dibenzoic acidSalicylic acid, 3,3'-biphenyldisulfonate (2:1) (8CI)
Database identifiers
- CAS
17401-50-2- PubChem CID
- 28519
- DTXSID
DTXSID00169747
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 961
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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