Basic information
- CAS
410078-70-5- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCSC(CC(=O)O)C(=O)O- InChIKey
PFRYVOHLCIMHDV-UHFFFAOYSA-N- Molecular formula
- C19H30O4S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.18648061
Names & identifiers
- Preferred name
- 2-[(3,7,11-Trimethyldodeca-2,6,10-trien-1-YL)sulfanyl]butanedioic acid
- IUPAC
- 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)butanedioic acid
Names & synonyms
410078-70-5SCHEMBL1762167DTXSID507856582-[(3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL)SULFANYL]BUTANEDIOIC ACID
Database identifiers
- CAS
410078-70-5- PubChem CID
- 71362016
- DTXSID
DTXSID50785658
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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