9RJ

4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol

Created:	2021-11-19
Last modified:	2022-11-23

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1 entries where 9RJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of 9RJ

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Chemical Component Summary
Name	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Systematic Name (OpenEye OEToolkits)	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Formula	C₁₈ H₁₄ O₂
Molecular Weight	262.303
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(C=Cc2cccc3ccccc23)cc1O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2C=Cc3ccc(c(c3)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(\C=C\c2cccc3ccccc23)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2/C=C/c3ccc(c(c3)O)O
InChI	InChI	1.06	InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
InChIKey	InChI	1.06	XOIWJLBRXWVWJJ-CSKARUKUSA-N

Related Resource References

Resource Name	Reference
PubChem	165430616

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.