Ethyl (3aR,7R,7aR)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate

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

Structure Search

SMILES

CCOC(=O)C1=C[C@H]2OC(CC)(CC)O[C@H]2[C@@H](C1)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 `Wed Apr 02 18:54:55 GMT 2025` Edited by `admin` on `Wed Apr 02 18:54:55 GMT 2025`
Record UNII	RKL5CX5PCG
Record Status	`Validated (UNII)`
Record Version

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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

(3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic acid ethyl ester

Preferred 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

1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, [3aR-(3a?,7?,7a?)]-

Systematic Name

English

Code System Code Type Description

FDA UNII

RKL5CX5PCG

Created by admin on Wed Apr 02 18:54:55 GMT 2025 , Edited by admin on Wed Apr 02 18:54:55 GMT 2025

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PUBCHEM

9906318

Created by admin on Wed Apr 02 18:54:55 GMT 2025 , Edited by admin on Wed Apr 02 18:54:55 GMT 2025

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EPA CompTox

DTXSID601110181

Created by admin on Wed Apr 02 18:54:55 GMT 2025 , Edited by admin on Wed Apr 02 18:54:55 GMT 2025

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CAS

204254-90-0

Created by admin on Wed Apr 02 18:54:55 GMT 2025 , Edited by admin on Wed Apr 02 18:54:55 GMT 2025

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