OVP

3-(methylsulfanyl)benzoic acid

Created:	2019-07-09
Last modified:	2019-11-27

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1 entries where OVP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of OVP

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Chemical Component Summary
Name	3-(methylsulfanyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-methylsulfanylbenzoic acid
Formula	C₈ H₈ O₂ S
Molecular Weight	168.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CSc1cccc(c1)C(O)=O
SMILES	CACTVS	3.385	CSc1cccc(c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CSc1cccc(c1)C(=O)O
Canonical SMILES	CACTVS	3.385	CSc1cccc(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CSc1cccc(c1)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey	InChI	1.03	PZGADOOBMVLBJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	220329
ChEMBL	CHEMBL69340

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