Basic information
- CAS
79695-57-1- Standard SMILES
O=C(O)CS(=O)(=O)CCCCCS(=O)(=O)CC(=O)O- InChIKey
ASTKZVCIYJILAV-UHFFFAOYSA-N- Molecular formula
- C9H16O8S2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.02865981
Names & identifiers
- Preferred name
- 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid
- IUPAC
- 2-[5-(carboxymethylsulfonyl)pentylsulfonyl]acetic acid
Names & synonyms
79695-57-12-[5-(carboxymethylsulfonyl)pentylsulfonyl]acetic acidNSC319677DTXSID90317659NSC-3196772,2'-(Pentane-1,5-diyldisulfonyl)diacetic acid
Database identifiers
- CAS
79695-57-1- PubChem CID
- 330596
- DTXSID
DTXSID90317659
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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