2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate
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![2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8a01c1f72fdb45f784588362e9fe2c7d.png "2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate")
2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate
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CAS No:
460337-33-1
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Formula:
C42H44ClN2.C7H7O3S
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Chemical Name:
2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate
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Synonyms:
2-[2-[2-chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1h-benz[e]indolium 4-methylbenzenesulfonate
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CAS No:
2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate Basic Attributes
783.47
782.33100
Computed Properties
Molecular Weight:783.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:782.3308924
Monoisotopic Mass:782.3308924
Topological Polar Surface Area:71.8
Heavy Atom Count:56
Complexity:1390
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-[2-[2-Chloro-3-[2-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-1,1-dimethyl-1H-benz[e]indolium 4-methylbenzenesulfonate
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