(9,12Z)-12-Sulphooctadeca-9,12-dienoic acid
Basic information
- CAS
68201-84-3- Standard SMILES
CCCCC/C=C(/C/C=C\CCCCCCCC(=O)O)S(=O)(=O)O- InChIKey
BLYFBIUJESJYLP-ZIBMQLNRSA-N- Molecular formula
- C18H32O5S
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.19704529
Overview
See also: 9,12-Octadecadienoic acid, 12-sulfo-, (9Z)- (annotation moved to).
Names & identifiers
- Preferred name
- (9,12Z)-12-Sulphooctadeca-9,12-dienoic acid
- IUPAC
- (9Z,12Z)-12-sulfooctadeca-9,12-dienoic acid
Names & synonyms
(9,12Z)-12-Sulphooctadeca-9,12-dienoic acidBLYFBIUJESJYLP-ZIBMQLNRSA-N
Database identifiers
- CAS
68201-84-3- PubChem CID
- 6437501
- Nikkaji
- J317.404B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
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Related reactions
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Compound notes
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