Chem
J-GLOBAL ID：200907039924225584   Nikkaji number：J15.943C

Isochavicinic acid

イソカビシン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H10O4
Molecular formula furigana： C12-H10-O4
Molecular weight： 218.208
InChI： InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2+
InChI key： RHBGITBPARBDPH-HSFFGMMNSA-N
SMILES： OC(=O)/C=C/C=C\c1ccc2OCOc2c1
Systematic name  (3)：
  • (2E,4Z)-5-(1,3-ベンゾジオキソール-5-イル)-2,4-ペンタジエン酸
  • (2E,4Z)-5-(2H-1,3-ベンゾジオキソール-5-イル)ペンタ-2,4-ジエン酸
  • (2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Other name (3)：
  • イソカビシン酸
  • Isochavicinic acid
  • (2E,4Z)-5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
CAS registry number： 495-87-4
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