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CHEBI:90403 - 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate

ChEBI IDCHEBI:90403
ChEBI Name2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate
Stars
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo group of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid.
Last Modified17 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H14N3O3S3
Net Charge-1
Average Mass452.562
Monoisotopic Mass452.02028
SMILESCc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)[O-]
InChIInChI=1S/C21H15N3O3S3/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12/h2-10H,22H2,1H3,(H,25,26,27)/p-1
InChIKeyCTPFWVHDVOKBSN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403) is a organosulfonate oxoanion (CHEBI:33554)
2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403) is conjugate base of primuline (acid form) (CHEBI:90402)
Incoming Relation(s)
primuline (CHEBI:90399) has part 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403)
primuline (acid form) (CHEBI:90402) is conjugate acid of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate (CHEBI:90403)
IUPAC Name 
2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate
Synonyms  Source
primuline(1−)ChEBI
primuline anionChEBI