[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
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![[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a661fa9216604eabaefcbd4c3d9b4a6d.png "[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate")
[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
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CAS No:
62314-70-9
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Formula:
C44H54O6
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Chemical Name:
[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
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Synonyms:
62314-70-9;DTXSID10977870;trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate;63268-14-4;7,8-Dihydrobenzo(a)pyrene-7,8-diyl ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)acetate (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-;Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7R*,8R*(1R*,2S*,5R*)),2beta,5alpha))-;Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-;7,8-Dihydrobenzo[pqr]tetraphene-7,8-diyl bis({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate)
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CAS No:
[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Basic Attributes
678.9 g/mol
678.39203944 g/mol
Computed Properties
Molecular Weight:678.9
XLogP3:11.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:678.39203944
Monoisotopic Mass:678.39203944
Topological Polar Surface Area:71.1
Heavy Atom Count:50
Complexity:1190
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[(1R,2R)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrochrysen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
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[(1S,2S)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrochrysen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Formula
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[(1R,2R)-1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2-dihydrobenzo[a]anthracen-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Formula
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