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CHEBI:85546 - egualen(1−)

ChEBI IDCHEBI:85546
ChEBI Nameegualen(1−)
Stars
ASCII Nameegualen(1-)
DefinitionAn arenesulfonate oxoanion obtained by deprotonation of the sulfo group of egualen.
Last Modified23 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC15H17O3S
Net Charge-1
Average Mass277.365
Monoisotopic Mass277.09039
SMILESCCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2
InChIInChI=1S/C15H18O3S/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14/h5-10H,4H2,1-3H3,(H,16,17,18)/p-1
InChIKeyNARQSHREEUXZBT-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
egualen(1−) (CHEBI:85546) is a arenesulfonate oxoanion (CHEBI:22713)
egualen(1−) (CHEBI:85546) is conjugate base of egualen (CHEBI:85542)
Incoming Relation(s)
egualen sodium (CHEBI:32137) has part egualen(1−) (CHEBI:85546)
egualen (CHEBI:85542) is conjugate acid of egualen(1−) (CHEBI:85546)
IUPAC Name 
3-ethyl-7-(propan-2-yl)azulene-1-sulfonate
Synonym  Source
egualen anionChEBI