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Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N2
Molecular Weight 383.5484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 1

SHOW SMILES / InChI
Structure of 1,1′,3,3,3′,3′-Hexamethylindodicarbocyanine

SMILES

CN1C(=CC=CC=CC2=[N+](C)C3=CC=CC=C3C2(C)C)C(C)(C)C4=CC=CC=C14

InChI

InChIKey=BJWYLGUXZMRYGX-UHFFFAOYSA-N
InChI=1S/C27H31N2/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6/h7-19H,1-6H3/q+1

HIDE SMILES / InChI

Molecular Formula C27H31N2
Molecular Weight 383.5484
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:27:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:10 GMT 2023
Record UNII
MGN62JGG9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1′,3,3,3′,3′-Hexamethylindodicarbocyanine
Common Name English
3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-
Systematic Name English
1,3,3-trimethyl-2-((1e,3e)-5-((e)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3h-indol-1-ium perchlorate
Systematic Name English
1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium
Systematic Name English
3H-Indolium, 2-[(1E,3E,5E)-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-
Systematic Name English
2-[(1E,3E,5E)-5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium
Systematic Name English
2-[5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium
Systematic Name English
3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-, (E,E,E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119008
Created by admin on Sat Dec 16 19:27:10 GMT 2023 , Edited by admin on Sat Dec 16 19:27:10 GMT 2023
PRIMARY
CAS
59273-39-1
Created by admin on Sat Dec 16 19:27:10 GMT 2023 , Edited by admin on Sat Dec 16 19:27:10 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID20964034
Created by admin on Sat Dec 16 19:27:10 GMT 2023 , Edited by admin on Sat Dec 16 19:27:10 GMT 2023
PRIMARY
FDA UNII
MGN62JGG9L
Created by admin on Sat Dec 16 19:27:10 GMT 2023 , Edited by admin on Sat Dec 16 19:27:10 GMT 2023
PRIMARY
CAS
48221-03-0
Created by admin on Sat Dec 16 19:27:10 GMT 2023 , Edited by admin on Sat Dec 16 19:27:10 GMT 2023
PRIMARY
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