Molecule:100730: Difference between revisions
From ChemWiki
molecule
(auto-generated) Tag: Manual revert |
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=edcb6aca59e9327030de4eef681befcf | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02192415262D | ||
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 41: | Line 41: | ||
M V30 26 Re 5.95 -7.625 0.0 0 CHG=1 | M V30 26 Re 5.95 -7.625 0.0 0 CHG=1 | ||
M V30 27 Re 8.85 -2.575 0.0 0 CHG=1 | M V30 27 Re 8.85 -2.575 0.0 0 CHG=1 | ||
M V30 28 C 10.925 -7.575 0.0 0 | M V30 28 C 10.925 -7.575 0.0 0 CHG=-1 | ||
M V30 29 C 11.425 -6.70897 0.0 0 | M V30 29 C 11.425 -6.70897 0.0 0 CHG=-1 | ||
M V30 30 C 8.35 -3.44103 0.0 0 | M V30 30 C 8.35 -3.44103 0.0 0 CHG=-1 | ||
M V30 31 C 9.35 -3.44103 0.0 0 | M V30 31 C 9.35 -3.44103 0.0 0 CHG=-1 | ||
M V30 32 C 6.95 -7.625 0.0 0 | M V30 32 C 6.95 -7.625 0.0 0 CHG=-1 | ||
M V30 33 C 6.45 -6.75897 0.0 0 | M V30 33 C 6.45 -6.75897 0.0 0 CHG=-1 | ||
M V30 34 O 6.95 -5.89295 0.0 0 | M V30 34 O 6.95 -5.89295 0.0 0 CHG=1 | ||
M V30 35 O 7.95 -7.625 0.0 0 | M V30 35 O 7.95 -7.625 0.0 0 CHG=1 | ||
M V30 36 O 9.925 -7.575 0.0 0 | M V30 36 O 9.925 -7.575 0.0 0 CHG=1 | ||
M V30 37 O 10.925 -5.84295 0.0 0 | M V30 37 O 10.925 -5.84295 0.0 0 CHG=1 | ||
M V30 38 O 7.85 -4.30705 0.0 0 | M V30 38 O 7.85 -4.30705 0.0 0 CHG=1 | ||
M V30 39 O 9.85 -4.30705 0.0 0 | M V30 39 O 9.85 -4.30705 0.0 0 CHG=1 | ||
M V30 40 C 13.6316 -5.29963 0.0 0 | M V30 40 C 13.6316 -5.29963 0.0 0 | ||
M V30 41 C 14.0779 -3.62786 0.0 0 | M V30 41 C 14.0779 -3.62786 0.0 0 | ||
| Line 361: | Line 361: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)(C#O)(C#O)~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)(C#O)(C#O)~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)(C#O)(C#O)~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3 | |||
|smiles=C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)([C-]#[O+])([C-]#[O+])~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)([C-]#[O+])([C-]#[O+])~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)([C-]#[O+])([C-]#[O+])~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3 | |||
|inchi= | |inchi= | ||
|inchikey= | |inchikey= | ||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 15:27, 19 February 2024
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