2-[4-(Carboxymethylsulfonyl)butylsulfonyl]acetic acid
Basic information
- CAS
79695-56-0- Standard SMILES
O=C(O)CS(=O)(=O)CCCCS(=O)(=O)CC(=O)O- InChIKey
RYZGEXIBKZUADU-UHFFFAOYSA-N- Molecular formula
- C8H14O8S2
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.01300975
Names & identifiers
- Preferred name
- 2-[4-(Carboxymethylsulfonyl)butylsulfonyl]acetic acid
- IUPAC
- 2-[4-(carboxymethylsulfonyl)butylsulfonyl]acetic acid
Names & synonyms
79695-56-02-[4-(carboxymethylsulfonyl)butylsulfonyl]acetic acidNSC319676DTXSID30317658NSC-3196762,2'-(Butane-1,4-diyldisulfonyl)diacetic acid
Database identifiers
- CAS
79695-56-0- PubChem CID
- 330595
- DTXSID
DTXSID30317658
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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