5K2

4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol

Created:	2015-10-06
Last modified:	2016-05-04

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1 entries where 5K2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	18

2D diagram of 5K2

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Chemical Component Summary
Name	4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
Systematic Name (OpenEye OEToolkits)	4-[3,4-dihydro-1H-naphthalen-2-ylidene-(4-hydroxyphenyl)methyl]phenol
Formula	C₂₃ H₂₀ O₂
Molecular Weight	328.404
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C\2Cc1ccccc1CC/2=C(\c3ccc(cc3)O)c4ccc(cc4)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
InChI	InChI	1.03	InChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2
InChIKey	InChI	1.03	VWBHJKZUPJSBJB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348365

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