S1C

3-(4-acetamidophenyl)benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where S1C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of S1C

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Chemical Component Summary
Name	3-(4-acetamidophenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(4-acetamidophenyl)benzoic acid
Formula	C₁₅ H₁₃ N O₃
Molecular Weight	255.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H13NO3/c1-10(17)16-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey	InChI	1.03	ZIZLPMUXPKXCNP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20099980
ChEMBL	CHEMBL4166145

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