SAX

2-(dodecyloxy)-6-hydroxybenzoic acid

Created:	2011-06-17
Last modified:	2012-12-14

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1 entries where SAX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	6

2D diagram of SAX

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Chemical Component Summary
Name	2-(dodecyloxy)-6-hydroxybenzoic acid
Systematic Name (OpenEye OEToolkits)	2-dodecoxy-6-oxidanyl-benzoic acid
Formula	C₁₉ H₃₀ O₄
Molecular Weight	322.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c(O)cccc1OCCCCCCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCCCCCOc1cccc(O)c1C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCCCCCCOc1cccc(c1C(=O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCOc1cccc(O)c1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCCCCCCOc1cccc(c1C(=O)O)O
InChI	InChI	1.03	InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22)
InChIKey	InChI	1.03	HMYWVVRALHTQJQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10448823
ChEMBL	CHEMBL98784

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.