Molecule:100943: Difference between revisions
From ChemWiki
molecule
auto-generated |
auto-generated |
||
| Line 8: | Line 8: | ||
|moleculeKey= | |moleculeKey= | ||
|molOrRxn= | |molOrRxn= | ||
ChemDraw04092515402D | |||
50 62 0 0 0 0 0 0 0 0999 V2000 | 50 62 0 0 0 0 0 0 0 0999 V2000 | ||
| Line 17: | Line 17: | ||
0.7145 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 0.7145 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
0.0000 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 0.0000 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
0.0000 -0.4388 0.0000 S 0 | 0.0000 -0.4388 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 | ||
-0.7969 -0.6523 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 | -0.7969 -0.6523 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 | ||
0.7969 -0.6523 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 | 0.7969 -0.6523 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| Line 53: | Line 53: | ||
3.5724 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 3.5724 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
3.5724 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 3.5724 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
-0. | -0.0752 -1.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
0. | 0.6393 -1.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1.3537 -1.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |||
0. | 0.6393 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
- | -1.2703 -2.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
-0. | -0.5559 -2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
0. | 0.1586 -2.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
-0. | -0.5559 -3.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 2 0 0 | 1 2 2 0 0 | ||
2 3 1 0 0 | 2 3 1 0 0 | ||
| Line 107: | Line 107: | ||
41 42 2 0 0 | 41 42 2 0 0 | ||
42 32 1 0 0 | 42 32 1 0 0 | ||
43 44 4 0 0 | 43 44 4 0 0 | ||
44 45 4 0 0 | 44 45 4 0 0 | ||
| Line 119: | Line 117: | ||
8 47 1 0 0 | 8 47 1 0 0 | ||
9 49 1 0 0 | 9 49 1 0 0 | ||
8 37 10 0 0 | |||
8 13 10 0 0 | |||
8 21 10 0 0 | |||
9 12 10 0 0 | |||
9 38 10 0 0 | |||
9 25 10 0 0 | |||
M CHG 1 7 1 | |||
M END | M END | ||
|smiles= | |smiles= | ||
Latest revision as of 14:41, 9 April 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | n/a |
| Molecular formula | n/a |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Molecule is used on following pages
publication
