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 | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one |
Systematic Name (OpenEye OEToolkits) | 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one |
Formula | C15 H9 Cl O3 |
Molecular Weight | 272.683 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3 |
SMILES | CACTVS | 3.385 | Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl |
Canonical SMILES | CACTVS | 3.385 | Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | TUQNFQUMZKUALD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5398657 |