UWU

6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one

Created: 2012-06-11
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of UWU

Chemical Component Summary

Name6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
Systematic Name (OpenEye OEToolkits)6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
FormulaC15 H9 Cl O3
Molecular Weight272.683
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3
SMILESCACTVS3.385Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl
Canonical SMILESCACTVS3.385 Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl
InChIInChI1.03 InChI=1S/C15H9ClO3/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,17H
InChIKeyInChI1.03 TUQNFQUMZKUALD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5398657