A1IAJ

(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone

Created:	2024-05-07
Last modified:	2025-04-16

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1 entries where A1IAJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	22

2D diagram of A1IAJ

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Chemical Component Summary
Name	(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Synonyms	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](2-hydroxyphenyl)methanone
Systematic Name (OpenEye OEToolkits)	(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Formula	C₂₁ H₁₄ O₄ S
Molecular Weight	362.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O)O
InChI	InChI	1.06	InChI=1S/C21H14O4S/c22-13-7-5-12(6-8-13)21-19(16-10-9-14(23)11-18(16)26-21)20(25)15-3-1-2-4-17(15)24/h1-11,22-24H
InChIKey	InChI	1.06	OQGOSHZJAKDQGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	172916351

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.