MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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tritylium

	Properties	Image
MNX_ID	MNXM161956
reference	chebi:76211
formula	C₁₉H₁₅
global charge	1
mol weight	243.329
InChIKey	OLFPYUPGPBITMH-UHFFFAOYSA-N
InChI	InChI=1S/C19H15/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
SMILES	C1=CC=C([C+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C19H15/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
SMILES (mnx)	[CH:1]1=[CH:4][CH:10]=[C:16]([C+:19]([C:17]2=[CH:12][CH:6]=[CH:2][CH:7]=[CH:13]2)[C:18]2=[CH:14][CH:8]=[CH:3][CH:9]=[CH:15]2)[CH:11]=[CH:5]1

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
Identifier	Description
CHEBI:76211 chebi:76211 OLFPYUPGPBITMH-UHFFFAOYSA-N	tritylium triphenylmethylium