J5R

8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid

Created:	2021-04-12
Last modified:	2021-10-13

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2 entries where J5R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of J5R

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Chemical Component Summary
Name	8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
Formula	C₁₄ H₇ Cl O₄
Molecular Weight	274.656
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H7ClO4/c15-9-2-1-3-10-12(9)13(16)8-5-4-7(14(17)18)6-11(8)19-10/h1-6H,(H,17,18)
InChIKey	InChI	1.03	HVNIYRBLTIFYAJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156613407
ChEMBL	CHEMBL4857993

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