2QL

(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol

Created:	2014-01-09
Last modified:	2014-04-02

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2 entries where 2QL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	3
Bond Count	50
Aromatic Bond Count	24

2D diagram of 2QL

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Chemical Component Summary
Name	(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₄ H₁₈ O₃
Molecular Weight	354.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC6c3c(c2c1ccccc1c5c4c2c(c3)ccc4ccc5)CC(O)C6O
SMILES	CACTVS	3.385	O[CH]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)C(C(C(C6)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O
InChI	InChI	1.03	InChI=1S/C24H18O3/c25-19-11-17-18(23(26)24(19)27)10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)22(17)21(13)20(12)15/h1-10,19,23-27H,11H2/t19-,23-,24-/m1/s1
InChIKey	InChI	1.03	HWQNIRBJKZENJU-CTUHWIOQSA-N

Related Resource References

Resource Name	Reference
PubChem	73386630

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