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CHEBI:85380 - 8-methoxypyrene-1,3,6-trisulfonate

ChEBI IDCHEBI:85380
ChEBI Name8-methoxypyrene-1,3,6-trisulfonate
Stars
DefinitionThe arenesulfonate oxoanion that is 8-methoxypyrene-1,3,6-trisulfonic acid deprotonated at each of the three sulfonic acid substituents.
Last Modified17 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H9O10S3
Net Charge-3
Average Mass469.450
Monoisotopic Mass468.93743
SMILESCOc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43
InChIInChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)/p-3
InChIKeyCTERCLHSWSQHSD-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380) is a arenesulfonate oxoanion (CHEBI:22713)
8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380) is conjugate base of 8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377)
Incoming Relation(s)
sodium 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85381) has part 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) is conjugate acid of 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380)
IUPAC Name 
8-methoxypyrene-1,3,6-trisulfonate
Synonyms  Source
MTPSChEBI
8-methoxy-1,3,6-trisulfonatepyreneChEBI
8-methoxy-1,3,6-trisulfonatopyreneChEBI
Registry NumbersSources
Reaxys:6459271Reaxys
Citations