|
|
| Line 2: |
Line 2: |
| |trivialname= | | |trivialname= |
| |abbrev= | | |abbrev= |
| |molecularFormula=C<sub>36</sub>H<sub>51</sub>CoCuN<sub>5</sub>S<sub>3</sub>+<sub>4</sub> | | |molecularFormula= |
| |molecularMass=771.19125781236 | | |molecularMass= |
| |synonyms= | | |synonyms= |
| |hasVendors= | | |hasVendors= |
| |moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | | |moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N |
| |molOrRxn= | | |molOrRxn= |
| -INDIGO-02272416342D
| | |smiles= |
| | | |inchi= |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 46 56 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 N 3.4 -5.925 0.0 0 CFG=1
| |
| M V30 2 C 2.9 -6.79103 0.0 0
| |
| M V30 3 C 3.4 -7.65705 0.0 0
| |
| M V30 4 S 4.4 -7.65705 0.0 0
| |
| M V30 5 Cu 4.84093 -5.41618 0.0 0 CHG=1
| |
| M V30 6 C 2.53397 -6.425 0.0 0
| |
| M V30 7 C 2.9 -5.05897 0.0 0
| |
| M V30 8 C 3.4 -4.19295 0.0 0
| |
| M V30 9 S 4.4 -4.19295 0.0 0
| |
| M V30 10 C 3.4749 -6.75882 0.0 0
| |
| M V30 11 S 4.19093 -6.35882 0.0 0
| |
| M V30 12 N 10.0239 -5.875 0.0 0 CFG=1
| |
| M V30 13 C 10.4818 -6.84981 0.0 0
| |
| M V30 14 C 9.99888 -7.57462 0.0 0
| |
| M V30 15 N 9.03307 -7.59962 0.0 0
| |
| M V30 16 Co 8.60132 -5.48446 0.0 0 CHG=2
| |
| M V30 17 C 10.9237 -6.3579 0.0 0
| |
| M V30 18 C 10.4068 -5.00019 0.0 0
| |
| M V30 19 C 9.97388 -4.17538 0.0 0
| |
| M V30 20 N 9.00807 -4.17538 0.0 0
| |
| M V30 21 C 10.0374 -6.75699 0.0 0
| |
| M V30 22 N 9.28757 -6.39909 0.0 0
| |
| M V30 23 C 4.9 -3.32692 0.0 0
| |
| M V30 24 C 5.79103 -2.97692 0.0 0
| |
| M V30 25 C 6.65475 -1.47762 0.0 0
| |
| M V30 26 C 5.79064 -1.97621 0.0 0
| |
| M V30 27 C 7.52193 -1.97751 0.0 0
| |
| M V30 28 C 6.66167 -3.47881 0.0 0
| |
| M V30 29 C 7.52451 -2.97319 0.0 0
| |
| M V30 30 C 8.41554 -3.27319 0.0 0
| |
| M V30 31 C 4.8 -8.82308 0.0 0
| |
| M V30 32 C 5.84093 -9.33189 0.0 0
| |
| M V30 33 C 7.57123 -9.33025 0.0 0
| |
| M V30 34 C 6.70738 -8.83121 0.0 0
| |
| M V30 35 C 7.5719 -10.3312 0.0 0
| |
| M V30 36 C 5.8416 -10.3368 0.0 0
| |
| M V30 37 C 6.7109 -10.8313 0.0 0
| |
| M V30 38 C 5.83485 -6.90007 0.0 0
| |
| M V30 39 C 7.56515 -6.89959 0.0 0
| |
| M V30 40 C 6.70164 -6.39997 0.0 0
| |
| M V30 41 C 7.56515 -7.90053 0.0 0
| |
| M V30 42 C 5.83485 -7.90502 0.0 0
| |
| M V30 43 C 6.70382 -8.40003 0.0 0
| |
| M V30 44 C 5.10103 -6.85915 0.0 0
| |
| M V30 45 C 8.34015 -6.89959 0.0 0
| |
| M V30 46 C 8.43725 -8.83025 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 1 1 2
| |
| M V30 2 1 2 3
| |
| M V30 3 1 3 4
| |
| M V30 4 10 1 5
| |
| M V30 5 1 1 6 CFG=1
| |
| M V30 6 1 1 7 CFG=3
| |
| M V30 7 1 7 8
| |
| M V30 8 1 8 9
| |
| M V30 9 10 9 5
| |
| M V30 10 1 6 10
| |
| M V30 11 1 10 11
| |
| M V30 12 10 11 5
| |
| M V30 13 10 4 5
| |
| M V30 14 1 12 13
| |
| M V30 15 1 13 14
| |
| M V30 16 1 14 15
| |
| M V30 17 10 12 16
| |
| M V30 18 1 12 17 CFG=1
| |
| M V30 19 1 12 18 CFG=3
| |
| M V30 20 1 18 19
| |
| M V30 21 1 19 20
| |
| M V30 22 10 20 16
| |
| M V30 23 1 17 21
| |
| M V30 24 1 21 22
| |
| M V30 25 10 22 16
| |
| M V30 26 10 15 16
| |
| M V30 27 1 9 23
| |
| M V30 28 1 23 24
| |
| M V30 29 2 26 24
| |
| M V30 30 2 27 25
| |
| M V30 31 1 24 28
| |
| M V30 32 1 25 26
| |
| M V30 33 2 28 29
| |
| M V30 34 1 29 27
| |
| M V30 35 1 29 30
| |
| M V30 36 1 4 31
| |
| M V30 37 1 31 32
| |
| M V30 38 2 34 32
| |
| M V30 39 2 35 33
| |
| M V30 40 1 32 36
| |
| M V30 41 1 33 34
| |
| M V30 42 2 36 37
| |
| M V30 43 1 37 35
| |
| M V30 44 2 40 38
| |
| M V30 45 2 41 39
| |
| M V30 46 1 38 42
| |
| M V30 47 1 39 40
| |
| M V30 48 2 42 43
| |
| M V30 49 1 43 41
| |
| M V30 50 1 38 44
| |
| M V30 51 1 44 11
| |
| M V30 52 1 30 20
| |
| M V30 53 1 39 45
| |
| M V30 54 1 45 22
| |
| M V30 55 1 33 46
| |
| M V30 56 1 46 15
| |
| M V30 END BOND
| |
| M V30 BEGIN COLLECTION
| |
| M V30 MDLV30/STEABS ATOMS=(2 1 12)
| |
| M V30 END COLLECTION
| |
| M V30 END CTAB
| |
| M END
| |
| | |
| |smiles=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([Cu+]14S(CC1C=CC=C(CN7CCN8(CC6)CC9)C=1)CC2)CC3)C=CC=5 | |
| |inchi=1S/C36H51N5S3.Co.Cu/c1-4-31-22-34(7-1)28-42-19-16-41-17-20-43-29-35-8-2-5-32(23-35)26-38-11-14-40(13-10-37-25-31)15-12-39-27-33-6-3-9-36(24-33)30-44-21-18-41;;/h1-9,22-24,37-39H,10-21,25-30H2;;/q;+2;+1 | |
| |inchikey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | | |inchikey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N |
| |width=200 | | |width=300px |
| |height=200 | | |height=200px |
| |float=none | | |float=none |
| |parent= | | |parent= |
| }} | | }} |
molecule
