1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Basic information
- CAS
162215-94-3- Standard SMILES
CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O- InChIKey
OACSODIYJOSDII-UHFFFAOYSA-N- Molecular formula
- C16H30O7S
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.17122447
Names & identifiers
- Preferred name
- 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
- IUPAC
- 1,4-di(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Names & synonyms
162215-94-31,4-bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acidDTXSID50275680RefChem:220235DTXCID20227095di(methyl-amyl) sulphosuccinateSCHEMBL84088591,4-Bis[(hexan-2-yl)oxy]-1,4-dioxobutane-2-sulfonic acid
Database identifiers
- CAS
162215-94-3- PubChem CID
- 62599
- DTXSID
DTXSID50275680
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
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Related reactions
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Compound notes
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