Basic information
- CAS
64131-32-4- Standard SMILES
CCCCCCCC/C=C\CCCCCCC(C(=O)OC)S(=O)(=O)O- InChIKey
KFCIJTJJZAJPSW-KHPPLWFESA-N- Molecular formula
- C19H36O5S
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.22834542
Names & identifiers
- Preferred name
- 1-Methyl 2-sulphooleate
- IUPAC
- (Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid
Names & synonyms
1-Methyl 2-sulphooleateEINECS 264-695-464131-32-4(9Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acidKFCIJTJJZAJPSW-KHPPLWFESA-NDTXSID601223285NS000533539-Octadecenoic acid, 2-sulfo-, 1-methyl ester, (Z)-
Database identifiers
- CAS
64131-32-4- PubChem CID
- 6432905
- DTXSID
DTXSID601223285- EC Number
- 264-695-4
- Nikkaji
- J310.061H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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