ORI

4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

Created:	2013-03-12
Last modified:	2021-03-01

Find Related PDB Entry
1 entries where ORI is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of ORI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Synonyms	Orange I
Systematic Name (OpenEye OEToolkits)	4-[(E)-(4-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
Formula	C₁₆ H₁₂ N₂ O₄ S
Molecular Weight	328.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3
SMILES	CACTVS	3.370	Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)O
Canonical SMILES	CACTVS	3.370	Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
InChIKey	InChI	1.03	PURJGKXXWJKIQR-ISLYRVAYSA-N

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.