Basic information
- CAS
688300-64-3- Standard SMILES
CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O- InChIKey
CYKFQSXTIVGYDT-UHFFFAOYSA-N- Molecular formula
- C18H34O6S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.20760997
Names & identifiers
- Preferred name
- 12-(Sulfooxy)octadec-9-enoic acid
- IUPAC
- 12-sulfooxyoctadec-9-enoic acid
Names & synonyms
12-(SULFOOXY)OCTADEC-9-ENOIC ACIDDTXSID90860438688300-64-3
Database identifiers
- CAS
688300-64-3- PubChem CID
- 62041
- DTXSID
DTXSID90860438
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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