CHEBI:81364 - Dioxation

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ChEBI Name Dioxation
ChEBI ID CHEBI:81364
Stars This entity has been manually annotated by a third party.
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Formula C12H26O6P2S4
Net Charge 0
Average Mass 456.53900
Monoisotopic Mass 456.00875
InChI InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey VBKKVDGJXVOLNE-UHFFFAOYSA-N
SMILES CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC
ChEBI Ontology
Outgoing Dioxation (CHEBI:81364) is a dioxanes (CHEBI:46926)
Manual Xrefs Databases
1100 VSDB
1100 PPDB
C17877 KEGG COMPOUND
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Registry Number Type Source
78-34-2 CAS Registry Number KEGG COMPOUND