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Substance Name: 4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
RN: 127311-88-0
InChIKey: ZIYLSFYPPOEDQP-PVFLNQBWSA-N

Molecular Formula

  • C11-H12-O6

Molecular Weight

  • 240.2098
 
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Names and Synonyms

Synonyms

  • 5-endo-(Ethoxycarbonyl)endothall anhydride
  • RTECS KO2394000

Systematic Name

  • 4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-88-0

System Generated Number

  • 0127311880

Structure Descriptors

InChI

1S/C11H12O6/c1-2-15-9(12)4-3-5-6-7(8(4)16-5)11(14)17-10(6)13/h4-8H,2-3H2,1H3/t4-,5-,6-,7-,8+/m1/s1

InChIKey

ZIYLSFYPPOEDQP-PVFLNQBWSA-N

Smiles

CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(=O)OC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.