B06

3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid

Created:	2016-06-20
Last modified:	2017-02-15

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1 entries where B06 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of B06

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Chemical Component Summary
Name	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid
Formula	C₁₆ H₁₀ F₃ N O₃
Molecular Weight	321.251
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc2CN(C(=O)c12)c3cccc(c3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.5	c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc2CN(C(=O)c12)c3cccc(c3)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C16H10F3NO3/c17-16(18,19)10-4-2-5-11(7-10)20-8-9-3-1-6-12(15(22)23)13(9)14(20)21/h1-7H,8H2,(H,22,23)
InChIKey	InChI	1.03	UXSWDXQOTCKQJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1419098

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