Basic information
- CAS
3198-32-1- Standard SMILES
O=S(=O)([O-])c1ccccc1- InChIKey
SRSXLGNVWSONIS-UHFFFAOYSA-M- Molecular formula
- C6H5O3S-
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 156.99594019
Names & identifiers
- Preferred name
- Benzenesulfonate
- IUPAC
- benzenesulfonate
- English name
- BENZENESULFONATE
- Molecular formula
- C6H5O3S-
- Molecular weight
- 157.1671
Names & synonyms
BenzenesulfonateBenzenesulfonic acid, ion(1-)CHEBI:64457RefChem:916895besylatebenzensulfonate3198-32-1benzenesulphonatebenzene sulfonatephenylsulfonatebenzenemonosulfonateDTXSID4043727
Show more names
1-phenyl-1-azoniabicyclo[2.2.2]octan-4-ol
AKOS022142045Q27133295
Database identifiers
- CAS
3198-32-1- PubChem CID
- 91526
- DTXSID
DTXSID4043727- ChEBI
CHEBI:64457- Nikkaji
- J292.561C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 170
Chemistry & industry
Suppliers3 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
MolMall Sarl[email protected]
SynZeal Research Pvt Ltd[email protected]
Additional notes
DefinitionChEBI: Benzenesulfonate is the simplest of the class of benzenesulfonates, in which the benzene nucleus carries no other substituents. It is a conjugate base of a benzenesulfonic acid.
Related reactions
32 records
Compound notes
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