Molecule:100850: Difference between revisions
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{{Molecule | {{Molecule | ||
|abbrev=(tBuxant)-(Re(bpy)(CO)3Cl)2 | |||
|abbrev= | |||
|molecularFormula=C<sub>49</sub>H<sub>42</sub>Cl<sub>2</sub>N<sub>4</sub>O<sub>7</sub>Re<sub>2</sub> | |molecularFormula=C<sub>49</sub>H<sub>42</sub>Cl<sub>2</sub>N<sub>4</sub>O<sub>7</sub>Re<sub>2</sub> | ||
|molecularMass=1242.154561244 | |molecularMass=1242.154561244 | ||
|moleculeKey=RNNNRBGABJVOGO-UHFFFAOYSA-L | |moleculeKey=RNNNRBGABJVOGO-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn=-INDIGO-01112411252D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
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M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C(C)(C)1C2C=C(C(C)(C)C)C=C(C3C=N4[Re+]([C-]#[O+])([C-]#[O+])([Cl-])([C-]#[O+])N5=CC=CC=C5C4=CC=3)C=2OC2C(C3C=CC4C5C=CC=CN=5[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])([Cl-])N=4C=3)=CC(C(C)(C)C)=CC1=2 | |smiles=C(C)(C)1C2C=C(C(C)(C)C)C=C(C3C=N4[Re+]([C-]#[O+])([C-]#[O+])([Cl-])([C-]#[O+])N5=CC=CC=C5C4=CC=3)C=2OC2C(C3C=CC4C5C=CC=CN=5[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])([Cl-])N=4C=3)=CC(C(C)(C)C)=CC1=2 | ||
|inchi=1S/C43H42N4O.6CO.2ClH.2Re/c1-41(2,3)29-21-31(27-15-17-37(46-25-27)35-13-9-11-19-44-35)39-33(23-29)43(7,8)34-24-30(42(4,5)6)22-32(40(34)48-39)28-16-18-38(47-26-28)36-14-10-12-20-45-36;6*1-2;;;;/h9-26H,1-8H3;;;;;;;2*1H;;/q;;;;;;;;;2*+1/p-2 | |inchi=1S/C43H42N4O.6CO.2ClH.2Re/c1-41(2,3)29-21-31(27-15-17-37(46-25-27)35-13-9-11-19-44-35)39-33(23-29)43(7,8)34-24-30(42(4,5)6)22-32(40(34)48-39)28-16-18-38(47-26-28)36-14-10-12-20-45-36;6*1-2;;;;/h9-26H,1-8H3;;;;;;;2*1H;;/q;;;;;;;;;2*+1/p-2 | ||
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|height=200px | |height=200px | ||
|float=none | |float=none | ||
}} | }} | ||
Revision as of 11:26, 11 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | (tBuxant)-(Re(bpy)(CO)3Cl)2 |
| Trivialname | n/a |
| Exact mass | 1242.154561244 |
| Molecular formula | C49H42Cl2N4O7Re2 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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