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Substance Name: 4,7-Epoxybenzo(c)thiophene-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
RN: 127311-89-1
InChIKey: XOCQTVSSYNHWTF-PVFLNQBWSA-N

Molecular Formula

  • C11-H12-O5-S

Molecular Weight

  • 256.2768
 
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Names and Synonyms

Synonym

  • 5-endo-(Ethoxycarbonyl)endothall thioanhydride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127311-89-1

System Generated Number

  • 0127311891

Structure Descriptors

InChI

1S/C11H12O5S/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

XOCQTVSSYNHWTF-PVFLNQBWSA-N

Smiles

CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(=O)SC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.