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AG00HT8C

134127-48-3 | 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 with4-methylbenzenesulfonic acid (1:1)

Chemical structure of 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 with4-methylbenzenesulfonic acid (1:1), CAS 134127-48-3
AG00HT8C
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CAS Number 134127-48-3
Catalog Number AG00HT8C(AGN-PC-0PK778)
Chemical Name 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 with4-methylbenzenesulfonic acid (1:1)
EC Number 420-680-6
IUPAC Name (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate
InChI InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key LQVQHHTYXSPHSQ-UHFFFAOYSA-M
MDL Number MFCD03093252
Molecular Formula C47H47ClN2O3S
Molecular Weight 755.4057
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].ClC1=C(CCCC1=CC=C1N(C=2C=CC3=C(C2C1(C)C)C=CC=C3)C)C=CC3=[N+](C=1C=CC2=C(C1C3(C)C)C=CC=C2)C
Synonyms
IR-813 p-Toluenesulfonate, 134127-48-3, SCHEMBL1156980, MFCD03093252, 2-((E)-2-((E)-2-chloro-3-((E)-2-(1,1,3-trimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium 4-methylbenzenesulfonate, 2-(2-{2-Chloro-3-[2-(1,1,3-trimethyl-2,3- dihydro- 1H-benzo[e] indol-2-yliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-1,1,3-trimethyl-1H-benzo[e] indolium 4- methyl- 1- benzenesulfonate, 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate,

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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited