Molecule:100730: Difference between revisions
From ChemWiki
molecule
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=c18fa81c388f076c64381c465a2ea02f | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02262410222D | ||
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 | M V30 COUNTS 180 201 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 6.35983 -3.83559 0.0 0 | M V30 1 C 6.35983 -3.83559 0.0 0 | ||
| Line 173: | Line 173: | ||
M V30 158 R# 6.3044 0.786395 0.0 0 RGROUPS=(1 2) | M V30 158 R# 6.3044 0.786395 0.0 0 RGROUPS=(1 2) | ||
M V30 159 R# 12.5314 0.789322 0.0 0 RGROUPS=(1 2) | M V30 159 R# 12.5314 0.789322 0.0 0 RGROUPS=(1 2) | ||
M V30 160 P 16.625 -2.225 0.0 0 CHG=-1 | |||
M V30 161 F 16.125 -1.35897 0.0 0 | |||
M V30 162 F 16.125 -3.09103 0.0 0 | |||
M V30 163 F 17.625 -2.225 0.0 0 | |||
M V30 164 F 17.125 -1.35897 0.0 0 | |||
M V30 165 F 17.125 -3.09103 0.0 0 | |||
M V30 166 F 15.625 -2.225 0.0 0 | |||
M V30 167 P 2.775 -2.375 0.0 0 CHG=-1 | |||
M V30 168 F 2.275 -1.50897 0.0 0 | |||
M V30 169 F 2.275 -3.24103 0.0 0 | |||
M V30 170 F 3.775 -2.375 0.0 0 | |||
M V30 171 F 3.275 -1.50897 0.0 0 | |||
M V30 172 F 3.275 -3.24103 0.0 0 | |||
M V30 173 F 1.775 -2.375 0.0 0 | |||
M V30 174 P 9.55 -13.35 0.0 0 CHG=-1 | |||
M V30 175 F 9.05 -12.484 0.0 0 | |||
M V30 176 F 9.05 -14.216 0.0 0 | |||
M V30 177 F 10.55 -13.35 0.0 0 | |||
M V30 178 F 10.05 -12.484 0.0 0 | |||
M V30 179 F 10.05 -14.216 0.0 0 | |||
M V30 180 F 8.55 -13.35 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 358: | Line 379: | ||
M V30 182 1 128 158 | M V30 182 1 128 158 | ||
M V30 183 1 135 159 | M V30 183 1 135 159 | ||
M V30 184 1 160 161 | |||
M V30 185 1 160 162 | |||
M V30 186 1 160 163 | |||
M V30 187 1 160 164 | |||
M V30 188 1 160 165 | |||
M V30 189 1 160 166 | |||
M V30 190 1 167 168 | |||
M V30 191 1 167 169 | |||
M V30 192 1 167 170 | |||
M V30 193 1 167 171 | |||
M V30 194 1 167 172 | |||
M V30 195 1 167 173 | |||
M V30 196 1 174 175 | |||
M V30 197 1 174 176 | |||
M V30 198 1 174 177 | |||
M V30 199 1 174 178 | |||
M V30 200 1 174 179 | |||
M V30 201 1 174 180 | |||
M V30 END BOND | M V30 END BOND | ||
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.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F | |||
|inchi= | |inchi= | ||
|inchikey= | |inchikey= | ||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 10:23, 26 February 2024
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