[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate
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![[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fce7d2b331a94911a98fff1fe06457f0.png "[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate")
[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate
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CAS No:
120028-82-2
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Formula:
C34H23NO6
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Chemical Name:
[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate
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Synonyms:
120028-82-2;DTXSID90923193;1-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8-diyl dibenzoate;Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-1-nitro-, dibenzoate (ester), trans-
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CAS No:
[(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate Basic Attributes
541.5 g/mol
541.15253745 g/mol
Computed Properties
Molecular Weight:541.5
XLogP3:8.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:541.15253745
Monoisotopic Mass:541.15253745
Topological Polar Surface Area:98.4
Heavy Atom Count:41
Complexity:982
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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