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ChEBI
> Main
CHEBI:31694 - Improsulfan tosylate
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ChEBI Ontology
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ChEBI Name
Improsulfan tosylate
ChEBI ID
CHEBI:31694
Stars
This entity has been manually annotated by a third party.
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Formulae
C15H27NO9S3
C8H20NO6S2.C7H7O3S
Net Charge
0
Average Mass
461.575
Monoisotopic Mass
461.08479
InChI
InChI=1S/C8H19NO6S2.C7H8O3S/c1-
16(10,11)
14-
7-
3-
5-
9-
6-
4-
8-
15-
17(2,12)
13;1-
6-
2-
4-
7(5-
3-
6)
11(8,9)
10/h9H,3-
8H2,1-
2H3;2-
5H,1H3,(H,8,9,10)
InChIKey
XQGSVNHIIVBMPX-UHFFFAOYSA-N
SMILES
CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.C1=CC(=CC=C1S(O)(=O)=O)C
ChEBI Ontology
Outgoing
Improsulfan tosylate (
CHEBI:31694
)
is a
organosulfonic ester (
CHEBI:83347
)
Synonym
Source
Improsulfan tosylate
KEGG COMPOUND
Manual Xref
Database
D01497
KEGG DRUG
View more database links
Registry Number
Type
Source
32784-82-0
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017