Dataset

process

dataset for process

Chemical Information

molecular Image
InChI InChI=1S/2C16H30N6.C4H8O.2CHF3O3S.Zn/c2*1-19-9-10-20(2)15(19)17-13-7-5-6-8-14(13)18-16-21(3)11-12-22(16)4;1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*13-14H,5-12H2,1-4H3;1-4H2;2*(H,5,6,7);/q;;;;;+2/p-2/t2*13-,14-;;;;/m11..../s1
SMILES C1CCCO1.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.[Zn+2]
InChI Key RVBYFQZWFRUDCA-WAFKZFKJSA-L
Molecular Formula C38H68F6N12O7S2Zn
Exact Mass 1048.523 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVBYFQZWFRUDCA-WAFKZFKJSA-L/BFO0000015
License URL
Source https://www.chemotion-repository.net/inchikey/RVBYFQZWFRUDCA-WAFKZFKJSA-L/BFO0000015
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-03
Related Molecule
  • zinc;N-[(1R,2R)-2-[(1,3-dimethylimidazolidin-2-ylidene)amino]cyclohexyl]-1,3-dimethylimidazolidin-2-imine;oxolane;trifluoromethanesulfonate
    • Field Value
    Measurement Technique process
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146155941 PubChem
    The data in this table is sourced from UniChem at EBI.