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C5-indocyanine cation

PropertiesImage
MNX_IDMNXM153014 Image of MNXM153014
referencechebi:52807
formulaC29H35N2
global charge1
mol weight411.613
InChIKeyKYFRKHUJZPDPDS-UHFFFAOYSA-N
InChIInChI=1S/C29H35N2/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2/h9-21H,7-8H2,1-6H3/q+1
SMILESCCN1C(=CC=CC=CC2=[N+](CC)C3=C(C=CC=C3)C2(C)C)C(C)(C)C2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C29H35N2/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2/h9-21H,7-8H2,1-6H3/q+1 Image of MNXM153014
SMILES (mnx)[CH3:1][CH2:7][N:30]1[C:24]2=[CH:18][CH:14]=[CH:12][CH:16]=[C:22]2[C:28]([CH3:3])([CH3:4])[C:26]1=[CH:20][CH:10]=[CH:9][CH:11]=[CH:21][C:27]1=[N+:31]([CH2:8][CH3:2])[C:25]2=[CH:19][CH:15]=[CH:13][CH:17]=[C:23]2[C:29]1([CH3:5])[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52807
chebi:52807
KYFRKHUJZPDPDS-UHFFFAOYSA-N
C5-indocyanine cation
1-ethyl-2-[5-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indolium