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Substance Name: Zizanoic acid
RN: 16203-25-1
UNII: 6W12127I74
InChIKey: IJGMVUXEZUEDJR-RTWAVKEYSA-N

Molecular Formula

  • C15-H22-O2

Molecular Weight

  • 234.3368
 
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Names and Synonyms

Name of Substance

  • Zizanoic acid

Synonyms

  • EINECS 240-332-5
  • UNII-6W12127I74

Systematic Name

  • (3S-(3alpha,3aalpha,6alpha,8aalpha))-Octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 16203-25-1

FDA UNII

  • 6W12127I74

System Generated Number

  • 0016203251

Structure Descriptors

InChI

1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1

InChIKey

IJGMVUXEZUEDJR-RTWAVKEYSA-N

Smiles

CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O