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Catalog Number
ACM19764966-2
Product Name
HITCI
Structure
CAS
19764-96-6
Category
Other Materials
Synonyms
Hexacyanine3,HITCiodide,HTCiodide,LC8500,1,1',3,3,3',3'-Hexamethylindotricarbocyanineiodide,2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indoliumiodide
IUPAC Name
1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole;iodide
Molecular Weight
536.49
Molecular Formula
C29H33IN2
Canonical SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]
InChI
InChI=1S/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1
InChI Key
JKXWXYURKUEZHV-UHFFFAOYSA-M
Melting Point
198 °C
Purity
98%+
Appearance
Brown crystalline solid
Storage
Stored at RT
Complexity
756
Covalently-Bonded Unit Count
2
EC Number
243-282-2
Exact Mass
536.16885g/mol
Formal Charge
0
Heavy Atom Count
32
Monoisotopic Mass
536.16885g/mol
Rotatable Bond Count
4
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