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Substance Name: Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)
RN: 74261-21-5
InChIKey: BKWWHMTYPANIRW-UHFFFAOYSA-N

Molecular Formula

  • C23-H23-N-O5.1/2C4-H6-O3

Molecular Weight

  • 897.025
 
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Names and Synonyms

  • Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)

Registry Numbers

CAS Registry Number

  • 74261-21-5

System Generated Number

  • 0074261215

Molecular Formulas

Molecular Formula

  • C23-H23-N-O5.1/2C4-H6-O3

Molecular Formula Fragments

  • C23-H23-N-O5
  • C4-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H27NO5.C4H6O3/c2*1-2-9-20-19(8-1)26-13-12-25-16-23-24-17(14-27-20)6-5-7-18(24)15-28-21-10-3-4-11-22(21)29-23;1-3(5)7-4(2)6/h2*1-4,8-11,17-18,23H,5-7,12-16H2;1-2H3

InChIKey

BKWWHMTYPANIRW-UHFFFAOYSA-N

Smiles

O1c2c(O[C@@H]3COCCOc4c(OC[C@@H]5CCC[C@@H](C1)[N@@]35)cccc4)cccc2.C(C)(=O)OC(C)=O.O1c2c(O[C@@H]3COCCOc4c(OC[C@@H]5CCC[C@@H](C1)[N@@]35)cccc4)cccc2