Molecule:100956: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| Line 157: | Line 157: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C2CNCCN3CCNCC4=CC5C=CC(CN([H])6~[Co+]7(~N(CC6)(CCNCC6C=CC(C=2)=C(C=6)C=1)CCN~7([H])CC1C=CC2C=C(CNCC3)C=CC=2C=1)O)=CC=5C=C4.[Cl-](=O)(=O)(=O)=O | |smiles=C1C2CNCCN3CCNCC4=CC5C=CC(CN([H])6~[Co+]7(~N(CC6)(CCNCC6C=CC(C=2)=C(C=6)C=1)CCN~7([H])CC1C=CC2C=C(CNCC3)C=CC=2C=1)O)=CC=5C=C4.[Cl-](=O)(=O)(=O)=O | ||
|inchi=1S/C48H60N8.ClHO4.Co.H2O/c1-7-43-26-38-2-8-44(43)25-37(1)31-49-13-19-55-20-15-51-33-39-3-9-47-29-41(5-11-45(47)27-39)35-53-17-23-56(22-14-50-32-38)24-18-54-36-42-6-12-46-28-40(34-52-16-21-55)4-10-48(46)30-42;2-1(3,4)5;;/h1-12,25-30,49-54H,13-24,31-36H2;(H,2,3,4,5);;1H2/q;;+2;/p-2 | |inchi=1S/C48H60N8.ClHO4.Co.H2O/c1-7-43-26-38-2-8-44(43)25-37(1)31-49-13-19-55-20-15-51-33-39-3-9-47-29-41(5-11-45(47)27-39)35-53-17-23-56(22-14-50-32-38)24-18-54-36-42-6-12-46-28-40(34-52-16-21-55)4-10-48(46)30-42;2-1(3,4)5;;/h1-12,25-30,49-54H,13-24,31-36H2;(H,2,3,4,5);;1H2/q;;+2;/p-2 | ||
Latest revision as of 15:13, 16 May 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 923.378539732 |
| Molecular formula | C48H61ClCoN8O5 |
| 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
investigation
