OntologieschebiclassesCHEBI:52122   
JSON document
malachite green isothiocyanate
http://purl.obolibrary.org/obo/CHEBI_52122
Also appears inslm
Exact Synonyms
N-(4-{[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium perchlorate
class Information
charge

0

formula

C24H24ClN3O4S

has_dbxref

Beilstein:9242877

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C24H24N3S.ClHO4/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4;2-1(3,4)5/h5-16H,1-4H3;(H,2,3,4,5)/q+1;/p-1

inchikey

DDKWQLRWSLILIV-UHFFFAOYSA-M

in_subset

3_STAR

mass

485.98300

monoisotopicmass

485.11761

smiles

[O-]Cl(=O)(=O)=O.CN(C)c1ccc(cc1)C(c1ccc(cc1)N=C=S)=C1C=CC(C=C1)=[N+](C)C

class Relations