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CHEBI:85377 - 8-methoxypyrene-1,3,6-trisulfonic acid

Default Structure
ChEBI IDCHEBI:85377
ChEBI Name8-methoxypyrene-1,3,6-trisulfonic acid
Stars
DefinitionAn arenesulfonic acid consisting of pyrene methoxy-substituted at C-8 and substituted at C-1, -3 and 6 by sulfonic acid groups.
Last Modified17 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H12O10S3
Net Charge0
Average Mass472.474
Monoisotopic Mass471.95926
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)
InChIKeyCTERCLHSWSQHSD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) has parent hydride pyrene (CHEBI:39106)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) is a arenesulfonic acid (CHEBI:33555)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) is conjugate acid of 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380)
Incoming Relation(s)
8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380) is conjugate base of 8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377)
IUPAC Name 
8-methoxypyrene-1,3,6-trisulfonic acid
Synonym  Source
MTPSChEBI
Manual XrefsDatabases
2M9PDBeChem
Registry NumbersSources
Reaxys:9093934Reaxys
Citations