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10-((pyridin-2-yl-l3-oxidaneyl)sulfonyl)decyl 3,4,5-tris(dodecyloxy)benzoate | SBID = 536 | Compound | Custom Molecule

Struc Structure

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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