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C3-indocyanine

Properties

Image

Occurences in reactions

MNX_ID

MNXM119995

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₇H₃₃IN₂

charge

mass

512.16885

reference

InChIKey

LGRNGKUSEZTBMB-UHFFFAOYSA-M

InChI

InChI=1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1

SMILES

CCN1C(=CC=CC2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52694 chebi:52694	C3-indocyanine 1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide 1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium iodide C3-DI (C3-di-indolenine) Indocarbocyanine(C3)