Molecule:100754: Difference between revisions

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molecule
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{{Molecule
{{Molecule
|trivialname=
|abbrev=ZnTPP
|abbrev=
|molecularFormula=
|molecularFormula=C<sub>44</sub>H<sub>28</sub>N<sub>4</sub>Zn
|molecularMass=
|molecularMass=676.160539096
|synonyms=
|hasVendors=
|moleculeKey=XPVVGUHKLPZAEN-DAJBKUBHSA-N
|moleculeKey=XPVVGUHKLPZAEN-DAJBKUBHSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-05172313322D
   -INDIGO-11302313082D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 49 60 0 0 0
M  V30 COUNTS 49 56 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 4.26444 -2.19264 0.0 0
M  V30 1 C 4.26444 -2.19264 0.0 0
Line 62: Line 59:
M  V30 47 C 7.00272 -0.690101 0.0 0
M  V30 47 C 7.00272 -0.690101 0.0 0
M  V30 48 C 6.99626 0.309953 0.0 0
M  V30 48 C 6.99626 0.309953 0.0 0
M  V30 49 Zn 6.4 -4.475 0.0 0 CHG=2
M  V30 49 Zn 6.4 -4.425 0.0 0 CHG=2
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 121: Line 118:
M  V30 55 2 47 48
M  V30 55 2 47 48
M  V30 56 1 48 46
M  V30 56 1 48 46
M  V30 57 10 2 49
M  V30 58 10 11 49
M  V30 59 10 16 49
M  V30 60 10 9 49
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1=C2C(C3C=CC=CC=3)=C3N4[Zn+2]56[N-]7C(=C(C8C=CC=CC=8)C=4C=C3)C=CC7=C(C3C=CC=CC=3)C3=N5C(=C(C4C=CC=CC=4)C(=C1)[N-]26)C=C3
|smiles=C1=C2/C(/C3C=CC=CC=3)=C3\N=C(/C(/C4C=CC=CC=4)=C4\[N-]/C(=C(/C5C=CC=CC=5)\C5=N/C(=C(/C6C=CC=CC=6)\C(=C1)[N-]2)/C=C5)/C=C\4)C=C\3.[Zn+2]
|inchi=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
|inchi=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
|inchikey=XPVVGUHKLPZAEN-DAJBKUBHSA-N
|inchikey=XPVVGUHKLPZAEN-DAJBKUBHSA-N
|width=300px
|width=200
|height=200px
|height=200
|float=none
|float=none
|trivialname=
|synonyms=
|hasVendors=
|parent=
|parent=
}}
}}

Latest revision as of 11:52, 8 February 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation ZnTPP
Trivialname n/a
Exact mass n/a
Molecular formula n/a
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

ZnTPP


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