Molecule:100825: Difference between revisions
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molecule
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{{Molecule | {{Molecule | ||
|abbrev=[Ni(bpet-py2)(H2O)2][ClO4]2 | |abbrev=[Ni(bpet-py2)(H2O)2][ClO4]2 | ||
|molecularFormula=C<sub>26</sub>H<sub>30</sub>Cl<sub>2</sub>N<sub>4</sub>NiO<sub>10</sub>S<sub>2</sub> | |molecularFormula=C<sub>26</sub>H<sub>30</sub>Cl<sub>2</sub>N<sub>4</sub>NiO<sub>10</sub>S<sub>2</sub> | ||
|molecularMass=750. | |molecularMass=750.01338342 | ||
|moleculeKey= | |moleculeKey=SRJPAXHQYUSKJD-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102413302D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 45: | Line 45: | ||
M V30 33 O 7.32721 -4.57481 0.0 0 | M V30 33 O 7.32721 -4.57481 0.0 0 | ||
M V30 34 O 8.65286 -5.1065 0.0 0 | M V30 34 O 8.65286 -5.1065 0.0 0 | ||
M V30 35 Ni 7.30164 -6.64314 0.0 0 CHG= | M V30 35 Ni 7.30164 -6.64314 0.0 0 CHG=2 | ||
M V30 36 Cl 13.25 -4.425 0.0 0 | M V30 36 Cl 13.25 -4.425 0.0 0 | ||
M V30 37 O 13.25 -3.425 0.0 0 | M V30 37 O 13.25 -3.425 0.0 0 | ||
| Line 110: | Line 110: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=C2CS3[Ni+ | |smiles=C1C=C2CS3[Ni+2]4(S(CC3)CC3C=CC(CC5C=CC=NC=5)=CN=34)(N2=CC=1CC1=CN=CC=C1)(O)O.Cl(=O)(=O)([O-])=O.Cl(=O)(=O)([O-])=O | ||
|inchi=1S/C26H26N4S2.2ClHO4.Ni.2H2O/c1-3-21(15-27-9-1)13-23-5-7-25(29-17-23)19-31-11-12-32-20-26-8-6-24(18-30-26)14-22-4-2-10-28-16-22;2*2-1(3,4)5;;;/h1-10,15-18H,11-14,19-20H2;2*(H,2,3,4,5);;2*1H2/q;;;+ | |inchi=1S/C26H26N4S2.2ClHO4.Ni.2H2O/c1-3-21(15-27-9-1)13-23-5-7-25(29-17-23)19-31-11-12-32-20-26-8-6-24(18-30-26)14-22-4-2-10-28-16-22;2*2-1(3,4)5;;;/h1-10,15-18H,11-14,19-20H2;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2 | ||
|inchikey= | |inchikey=SRJPAXHQYUSKJD-UHFFFAOYSA-L | ||
|width=200 | |width=200 | ||
|height=200 | |height=200 | ||
Latest revision as of 16:07, 23 May 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | [Ni(bpet-py2)(H2O)2][ClO4]2 |
| Trivialname | n/a |
| Exact mass | 750.01338342 |
| Molecular formula | C26H30Cl2N4NiO10S2 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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