6J6

(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one

Created:	2016-05-25
Last modified:	2017-05-03

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1 entries where 6J6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

2D diagram of 6J6

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Chemical Component Summary
Name	(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
Formula	C₁₅ H₁₂ O₅
Molecular Weight	272.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2O[CH](CC(=O)c2c1)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	2.0.5	c1cc(c(cc1C2CC(=O)c3cc(ccc3O2)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc2O[C@H](CC(=O)c2c1)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O
InChI	InChI	1.03	InChI=1S/C15H12O5/c16-9-2-4-14-10(6-9)12(18)7-15(20-14)8-1-3-11(17)13(19)5-8/h1-6,15-17,19H,7H2/t15-/m1/s1
InChIKey	InChI	1.03	SHYJMIHVPPCBNP-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	126961331

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