R7T

4-[(thiophen-2-yl)methyl]benzoic acid

Created:	2019-10-25
Last modified:	2020-06-17

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2 entries where R7T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of R7T

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Chemical Component Summary
Name	4-[(thiophen-2-yl)methyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	4-(thiophen-2-ylmethyl)benzoic acid
Formula	C₁₂ H₁₀ O₂ S
Molecular Weight	218.272
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)c1ccc(cc1)Cc2cccs2
SMILES	CACTVS	3.385	OC(=O)c1ccc(Cc2sccc2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)Cc2ccc(cc2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(Cc2sccc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)Cc2ccc(cc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)
InChIKey	InChI	1.03	OAIBKSRZDOMJKZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20038987

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