10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate | SBID = 536 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C58H103NO8S | ||
| M / g/mol: | 974.52 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate
- Preferred Abbreviation: 10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate
- IUPAC Name: 10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate
- CAS:
- CID: -116
- InChiKey: AXBFFYNMEDOROP-UHFFFAOYSA-N
- InChi: InChI=1S/C53H98O8S.C5H5N/c1-4-7-10-13-16-19-22-27-32-37-42-58-50-47-49(53(54)61-45-40-35-30-25-26-31-36-41-46-62(55,56)57)48-51(59-43-38-33-28-23-20-17-14-11-8-5-2)52(50)60-44-39-34-29-24-21-18-15-12-9-6-3;1-2-4-6-5-3-1/h47-48H,4-46H2,1-3H3,(H,55,56,57);1-5H
- CanoSmiles: O=C(OCCCCCCCCCCS(=O)([O-])=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1.C2=CC=CC=[NH+]2
- IsoSmiles: O=C(OCCCCCCCCCCS(=O)([O-])=O)C1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1.C2=CC=CC=[NH+]2
