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Ptoep

CAS No.:
31248-39-2
Catalog Number:
AG00BBZ1
Molecular Formula:
C36H44N4Pt
Molecular Weight:
727.8394
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$1234
- +
5g
1 week
United States
$4409
- +
Product Description
Catalog Number:
AG00BBZ1
Chemical Name:
Ptoep
CAS Number:
31248-39-2
Molecular Formula:
C36H44N4Pt
Molecular Weight:
727.8394
MDL Number:
MFCD00672301
IUPAC Name:
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
InChI:
InChI=1S/C36H44N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key:
WAODGUVBNLMTSF-UHFFFAOYSA-N
SMILES:
CCC1=C(CC)/C/2=C/c3c(CC)c(c4n3[Pt]n3/c(=C\C1=N2)/c(CC)c(/c/3=C/C1=N/C(=C\4)/C(=C1CC)CC)CC)CC
Properties
Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
727.321g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
727.86g/mol
Monoisotopic Mass:
727.321g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties