Molecule:100799: Difference between revisions
From ChemWiki
molecule
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|moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | |moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-11222318352D | ||
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 14: | Line 14: | ||
M V30 COUNTS 46 56 0 0 0 | M V30 COUNTS 46 56 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 N 3.4 -5.925 0.0 0 | 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 2 C 2.9 -6.79103 0.0 0 | ||
M V30 3 C 3.4 -7.65705 0.0 0 | M V30 3 C 3.4 -7.65705 0.0 0 | ||
| Line 25: | Line 25: | ||
M V30 10 C 3.4749 -6.75882 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 11 S 4.19093 -6.35882 0.0 0 | ||
M V30 12 N 10.0239 -5.875 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 13 C 10.4818 -6.84981 0.0 0 | ||
M V30 14 C 9.99888 -7.57462 0.0 0 | M V30 14 C 9.99888 -7.57462 0.0 0 | ||
| Line 35: | Line 35: | ||
M V30 20 N 9.00807 -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 21 C 10.0374 -6.75699 0.0 0 | ||
M V30 22 N 9. | M V30 22 N 9.36257 -6.37409 0.0 0 | ||
M V30 23 C 4.9 -3.32692 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 24 C 5.79103 -2.97692 0.0 0 | ||
| Line 119: | Line 119: | ||
M V30 56 1 46 15 | M V30 56 1 46 15 | ||
M V30 END BOND | 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 V30 END CTAB | ||
M END | 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 | |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 | |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 | ||
Revision as of 18:37, 22 November 2023
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 771.19180639227 |
| Molecular formula | C36H51CoCuN5S3+3 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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