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CHEBI:42316 - 3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium

ChEBI IDCHEBI:42316
ChEBI Name3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium
Stars
ASCII Name3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H18N4O6S4
Net Charge0
Average Mass514.632
Monoisotopic Mass514.01092
SMILES[H]OS(=O)(=O)c1c([H])c([H])c2c(s/c(=N\N=c3/sc4c([H])c(S(=O)(=O)O[H])c([H])c([H])c4n3C([H])([H])C([H])([H])[H])n2C([H])([H])C([H])([H])[H])c1[H]
InChIInChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18-
InChIKeyZTOJFFHGPLIVKC-CLFAGFIQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium (CHEBI:42316) is a benzothiazoles (CHEBI:37947)
3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium (CHEBI:42316) is a organosulfonic acid (CHEBI:33551)
Synonyms  Source
3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-iumPDBeChem
(2Z)-3-ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acidPDBeChem
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