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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O7S
Molecular Weight 348.412
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

SMILES

[H][C@]12OC(CC)(CC)O[C@@]1([H])[C@@H](CC(=C2)C(=O)OCC)OS(C)(=O)=O

InChI

InChIKey=ACWOABVIOKTVCQ-JHJVBQTASA-N
InChI=1S/C15H24O7S/c1-5-15(6-2)20-11-8-10(14(16)19-7-3)9-12(13(11)21-15)22-23(4,17)18/h8,11-13H,5-7,9H2,1-4H3/t11-,12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O7S
Molecular Weight 348.412
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:19:07 GMT 2023
Edited
by admin
on Sat Dec 16 20:19:07 GMT 2023
Record UNII
RKL5CX5PCG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate
Systematic Name English
1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-
Systematic Name English
(3aR,7R,7aR)-ethyl 2,2-diethyl-7-((methylsulfonyl)oxy)-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate
Systematic Name English
(3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic acid ethyl ester
Systematic Name English
1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, [3aR-(3aα,7α,7aα)]-
Systematic Name English
Code System Code Type Description
FDA UNII
RKL5CX5PCG
Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023
PRIMARY
PUBCHEM
9906318
Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023
PRIMARY
CAS
204254-90-0
Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023
PRIMARY