Completing data — usually done within a minute
Basic information
- CAS
736117-98-9- Standard SMILES
O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
HEMCNETVISWSCS-UHFFFAOYSA-N- Molecular formula
- C18H15O6PS2
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.00476683
Names & identifiers
- Preferred name
- 4,4'-(Phenylphosphinidene)bis-benzenesulfonic acid
- IUPAC
- 4-[phenyl-(4-sulfophenyl)phosphanyl]benzenesulfonic acid
Names & synonyms
SCHEMBL996850HEMCNETVISWSCS-UHFFFAOYSA-NDTXSID6013797754,4'-(phenylphosphinidene)bis-benzenesulfonic acid4,4'-(Phenylphosphinidene)bis-benzensulfonic acid4,4a(2)-(Phenylphosphinidene)bis[benzenesulfonic acid]736117-98-9
Database identifiers
- CAS
736117-98-9- PubChem CID
- 4303689
- DTXSID
DTXSID601379775- Nikkaji
- J1.963.947I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 622
Related reactions
2 records
Compound notes
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