[5,10,15,20-tetrakis- (4-sulfonatophenyl)porphinato]zinc(II) (2) | SBID = 2047 | 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: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C44H24N4Na4O12S4Zn
M / g/mol: 1086.28004
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: [5,10,15,20-tetrakis- (4-sulfonatophenyl)porphinato]zinc(II) (2)
  • Preferred Abbreviation: [5,10,15,20-tetrakis- (4-sulfonatophenyl)porphinato]zinc(II) (2)
  • IUPAC Name:
  • CAS:
  • CID: -878
  • InChiKey: HTHMFUMPYTVPLT-UHFFFAOYSA-J
  • InChi: InChI=1S/C44H28N4O12S4.4Na.Zn/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;/q-2;4*+1;+2/p-4
  • CanoSmiles: [Na]OS(=O)(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Zn]2n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c/1\n2c(=C3c2ccc(cc2)S(=O)(=O)O[Na])cc1)/c1ccc(cc1)S(=O)(=O)O[Na])/c1ccc(cc1)S(=O)(=O)O[Na]
  • IsoSmiles: O=S(C(C=C1)=CC=C1/C(C2=N/C(C=C2)=C3/C4=CC=C(S(=O)(O[Na])=O)C=C4)=C(C=C5)/N6C5=C(C7=CC=C(S(=O)(O[Na])=O)C=C7)C(C=C8)=[N]9C8=C(C%10=CC=C(S(=O)(O[Na])=O)C=C%10)C%11=CC=C3N%11[Zn]96)(O[Na])=O