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Substance Name: Agaricic acid sesquihydrate
RN: 6034-71-5
InChIKey: NLHBFRGAFQAFLM-UHFFFAOYSA-N

Molecular Formula

  • C22-H40-O7.3/2H2-O

Molecular Weight

  • 887.146
 
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Names and Synonyms

Results Name

  • Agaricic acid sesquihydrate

Synonym

  • Agaricic acid sesquihydrate

Systematic Name

  • 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate

Registry Numbers

CAS Registry Number

  • 6034-71-5

System Generated Number

  • 0006034715

Molecular Formulas

Molecular Formula

  • C22-H40-O7.3/2H2-O

Molecular Formula Fragments

  • C22-H40-O7
  • H2-O

Structure Descriptors

InChI

1S/2C22H40O7.3H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24;;;/h2*18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28);3*1H2

InChIKey

NLHBFRGAFQAFLM-UHFFFAOYSA-N

Smiles

C([C@@]([C@@H](CCCCCCCCCCCCCCCC)C(=O)O)(C(=O)O)O)C(=O)O.O.C([C@@]([C@@H](CCCCCCCCCCCCCCCC)C(=O)O)(C(=O)O)O)C(=O)O.O.O