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)

CAS Registry Number®

134127-48-3
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CAS 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)

Molecular Formula

C40H40ClN2.C7H7O3S

Cite this Page

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).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134127-48-3 (retrieved 2024-04-29) (CAS RN: 134127-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=LQVQHHTYXSPHSQ-UHFFFAOYSA-M

SMILES

CC1(C)C2=C([N+](C)=C1C=CC3=C(Cl)C(=CC=C4C(C)(C)C5=C(N4C)C=CC=6C5=CC=CC6)CCC3)C=CC=7C2=CC=CC7.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Canonical SMILES

O=S(=O)([O-])C1=CC=C(C=C1)C.ClC=1C(=CC=C2N(C=3C=CC=4C=CC=CC4C3C2(C)C)C)CCCC1C=CC5=[N+](C=6C=CC=7C=CC=CC7C6C5(C)C)C

Other Names for this Substance

  • 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

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Deleted or Replaced CAS Registry Numbers

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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