Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1)
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![Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/eff6ae9acbbb44b5ab699dfeed953322.png "Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1)")
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1)
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CAS No:
77099-06-0
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Formula:
C20H18O8.C16H15N
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Chemical Name:
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1)
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Synonyms:
Butanedioic acid,2,3-bis[(4-methylbenzoyl)oxy]-,[S-(R*,R*)]-,compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1);5H-Dibenzo[a,d]cyclohepten-5,10-imine,10,11-dihydro-5-methyl-,(5S)-,[S-(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (1:1)
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CAS No:
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1) Basic Attributes
607.64912
607.221
278-621-3
Computed Properties
Molecular Weight:607.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:607.22061701
Monoisotopic Mass:607.22061701
Topological Polar Surface Area:147
Heavy Atom Count:45
Complexity:892
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-, compd. with (5S)-10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine (1:1)
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