1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
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![1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/70f763d017e24f91b39c4c178a49d61b.png "1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1)")
1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
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CAS No:
134127-48-3
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Formula:
C40H40ClN2.C7H7O3S
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Chemical Name:
1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
1H-Benz[e]indolium,2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-,4-methylbenzenesulfonate (1:1);1H-Benz[e]indolium,2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-,salt with 4-methylbenzenesulfonic acid (1:1);SDB 7047;ADS 830A;EC 2117;Trump IR;S 0094;Trump Dye;KF 1151;ST 798;PINA-KF 1151;Trump IR dye;ADS 830AT;Adagio;IR Dye 23b;NK 4680;LF NIRD 010;NIRD 010;C 2886;220971-33-5;253274-31-6;272114-89-3;433284-46-9;578717-31-4;685105-94-6;801220-56-4;2241229-15-0
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CAS No:
1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
755.40600
754.30000
Safety Information
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P314, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:755.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:754.2995922
Monoisotopic Mass:754.2995922
Topological Polar Surface Area:71.8
Heavy Atom Count:54
Complexity:1360
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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1H-Benz[e]indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
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