3,​5-​bis(phenylmethoxy)​-Benzoate anion | SBID = 1851 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C21H17O4-
M / g/mol: 333.35728
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest
  • Name: 3,​5-​bis(phenylmethoxy)​-Benzoate anion
  • Preferred Abbreviation: 3,​5-​bis(phenylmethoxy)​-Benzoate anion
  • IUPAC Name:
  • CAS: 1542235-98-2
  • CID: -772
  • InChiKey: DHQIBPUGSWVDOH-UHFFFAOYSA-M
  • InChi: InChI=1S/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)/p-1
  • CanoSmiles: [O-]C(=O)c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1
  • IsoSmiles: O=C([O-])C1=CC(OCC2=CC=CC=C2)=CC(OCC3=CC=CC=C3)=C1