Basic information
- CAS
1135684-22-8- Standard SMILES
O=C(O)CCCCCCC/C=C/CCCCCCCCS(=O)(=O)O- InChIKey
HSSSOROKXFGCHN-OWOJBTEDSA-N- Molecular formula
- C18H34O5S
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.21269535
Names & identifiers
- Preferred name
- (9E)-18-Sulfooctadec-9-enoic acid
- IUPAC
- (E)-18-sulfooctadec-9-enoic acid
Names & synonyms
(9E)-18-Sulfooctadec-9-enoic acidDTXSID508809901135684-22-8
Database identifiers
- CAS
1135684-22-8- PubChem CID
- 6437656
- DTXSID
DTXSID50880990
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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