Molecule:100501: Difference between revisions
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molecule
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|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey=ZDYSAMCSFRQDMN-YKKPBKTHSA-M | |moleculeKey=ZDYSAMCSFRQDMN-YKKPBKTHSA-M | ||
|molOrRxn= | |molOrRxn= | ||
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M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=CC(C2C3=N4~[Fe+3]56~N7C(=C(C8[N-]~5C(C(=C4C=C3)C3C=CC=CC=3)=CC=8)C3C=CC=CC=3)C=CC=7C(=C3[N-]~6C=2C=C3)C2C=CC=CC=2)=CC=1.[Cl-] | |smiles=C1C=CC(C2C3=N4~[Fe+3]56~N7C(=C(C8[N-]~5C(C(=C4C=C3)C3C=CC=CC=3)=CC=8)C3C=CC=CC=3)C=CC=7C(=C3[N-]~6C=2C=C3)C2C=CC=CC=2)=CC=1.[Cl-] | ||
|inchi=1S/C44H28N4.ClH.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;; | |inchi=1S/C44H28N4.ClH.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;; | ||
Revision as of 21:29, 2 January 2023
| 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 |
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