Basic information
- CAS
5406-99-5- Standard SMILES
CC(C)CCCCCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCCCCC(C)C- InChIKey
YSHUAWNKIOSZNC-UHFFFAOYSA-N- Molecular formula
- C30H42O4S2
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 530.25245216
Names & identifiers
- Preferred name
- Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate
- IUPAC
- 6-methylheptyl 2-[[2-(6-methylheptoxycarbonyl)phenyl]disulfanyl]benzoate
Names & synonyms
5406-99-5NSC5345Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoateDTXSID00328175NSC-5345
Database identifiers
- CAS
5406-99-5- PubChem CID
- 407429
- DTXSID
DTXSID00328175
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…