Registration Dossier

General information

Inventory

EC number:
420-680-6
EC name:
-
CAS number:
-
Description:
ADS 830 IR FARBSTOF; CHEMICAL 10057685; FOTOFARBSTOFF KF 1109; PM-2626; S 0094; SUBSTANCE S174963; TRUMP IR DYE

No inventory information available

Reference substance information

IUPAC name:
2-{2-[2-chloro-3-(2-{1,3,3-trimethyl-1H,2H,3H-benzo[g]indol-2-ylidene}ethylidene)cyclohex-1-en-1-yl]ethenyl}-1,1,3-trimethyl-1H-benzo[e]indol-3-ium 4-methylbenzene-1-sulfonate
Synonyms
Names:
Adagio
EC 2117
S 0094
ST 798
Trump Dye
Trump IR
Trump IR dye
2-{2-[2-chloro-3-[1,3,3-trimethylbenz(e)indolin-2-ylidene-ethylidene)-1-cyclohexen-1-yl]-ethenyl]-1,3,3-trimethyl-3H-benz(e)indolio}-4-methylphenylsulfonate

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
134127-47-2

Molecular and structural information

Molecular formula:
C47 H47 Cl N2 O3 S
Molecular weight:
ca. 755.47
SMILES notation:
Cc1ccc(cc1)S(=O)(=O)[O-].CC1(c2c3ccccc3ccc2[N+](=C1C=CC4=C(C(=CC=C5C(c6c7ccccc7ccc6N5C)(C)C)CCC4)Cl)C)C
InChl:
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
Structural formula:
Chemical structure