Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-
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![Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/73b5c7765a29471fa90ee436ce6daef8.png "Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-")
Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-
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CAS No:
90295-70-8
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Formula:
C34H18O14
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Chemical Name:
Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-
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Synonyms:
Benzeneacetic acid,α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-,(αE,α′E)-;Benzeneacetic acid,α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-,(E,E)-;Bisnorbadioquinone A
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CAS No:
Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)- Basic Attributes
650.49832
650.50
Computed Properties
Molecular Weight:650.5
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:650.06965524
Monoisotopic Mass:650.06965524
Topological Polar Surface Area:242
Heavy Atom Count:48
Complexity:1650
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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