226

naphthalene-1,2,4,5,7-pentol

Created:	2007-07-16
Last modified:	2011-06-04

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1 entries where 226 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of 226

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Chemical Component Summary
Name	naphthalene-1,2,4,5,7-pentol
Systematic Name (OpenEye OEToolkits)	naphthalene-1,2,4,5,7-pentol
Formula	C₁₀ H₈ O₅
Molecular Weight	208.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc2c1c(O)cc(O)cc1c(O)c(O)c2
SMILES	CACTVS	3.341	Oc1cc(O)c2c(O)cc(O)c(O)c2c1
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c2c1c(c(cc2O)O)O)O)O
Canonical SMILES	CACTVS	3.341	Oc1cc(O)c2c(O)cc(O)c(O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c2c1c(c(cc2O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H
InChIKey	InChI	1.03	IISYZEMBGRNYTH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06915
Name	naphthalene-1,2,4,5,7-pentol
Groups	experimental
Synonyms	naphthalene-1,2,4,5,7-pentol

Related Resource References

Resource Name	Reference
PubChem	448669

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