V2O

5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione

Created: 2023-05-09
Last modified:  2023-08-02

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11
2D diagram of V2O
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Chemical Component Summary

Name5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Systematic Name (OpenEye OEToolkits)5-[1-fluoranyl-7-(3-methyl-3-oxidanyl-butoxy)-3-oxidanyl-naphthalen-2-yl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one
FormulaC17 H19 F N2 O6 S
Molecular Weight398.406
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S(=O)(=O)N1
SMILESCACTVS3.385CC(C)(O)CCOc1ccc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2c1
SMILESOpenEye OEToolkits2.0.7CC(C)(CCOc1ccc2cc(c(c(c2c1)F)N3CC(=O)NS3(=O)=O)O)O
Canonical SMILESCACTVS3.385 CC(C)(O)CCOc1ccc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)(CCOc1ccc2cc(c(c(c2c1)F)N3CC(=O)NS3(=O)=O)O)O
InChIInChI1.06 InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyInChI1.06 KJYRSQLWJMEJNM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155103226