Dataset

process

Chemical Info

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

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Metadata Information

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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
MetadataCreated	2024-09-07T03:18:38.545996
MetadataModified	2024-09-07T18:09:39.868085
MetadataPublished	2020-06-03

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.