5ON

(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid

Created:	2015-10-30
Last modified:	2016-03-09

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2 entries where 5ON is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of 5ON

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Chemical Component Summary
Name	(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
Formula	C₁₈ H₁₆ O₅
Molecular Weight	312.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1
SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)COc2cccc(c2)C=CC(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1cccc(COc2cccc(/C=C/C(O)=O)c2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+
InChIKey	InChI	1.03	OEFDOGJCFYDFNL-BQYQJAHWSA-N

Related Resource References

Resource Name	Reference
PubChem	118796356

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