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3,3'-dipentyloxacarbocyanine

Properties

Image

Occurences in reactions

MNX_ID

MNXM150764

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

formula

C₂₇H₃₃N₂O₂

charge

mass

417.25365

reference

chebi:86288

InChIKey

ZLQJJALHJYCWSH-UHFFFAOYSA-N

InChI

InChI=1S/C27H33N2O2/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3/q+1

SMILES

CCCCCN1C(=CC=Cc2oc3ccccc3[n+]2CCCCC)Oc2ccccc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:86288 chebi:86288	3,3'-dipentyloxacarbocyanine 3,3'-Dipentyl-2,2'-oxacarbocyanine 3-pentyl-2-[3-(3-pentyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium DiOC5(3)