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Details

Stereochemistry RACEMIC
Molecular Formula C17H17ClO5S
Molecular Weight 368.832
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-CHLORO-4,6-DIMETHOXY-6'-METHYL-2'-(METHYLTHIO)-SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, TRANS-(±)-

SMILES

COC1=CC(OC)=C2C(=O)[C@]3(OC2=C1Cl)[C@H](C)CC(=O)C=C3SC

InChI

InChIKey=DCCZLOASKLQMQQ-RBHXEPJQSA-N
InChI=1S/C17H17ClO5S/c1-8-5-9(19)6-12(24-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)23-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H17ClO5S
Molecular Weight 368.832
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:40:36 GMT 2023
Edited
by admin
on Sat Dec 16 00:40:36 GMT 2023
Record UNII
45040LTJ4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-CHLORO-4,6-DIMETHOXY-6'-METHYL-2'-(METHYLTHIO)-SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, TRANS-(±)-
Common Name English
SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7-CHLORO-4,6-DIMETHOXY-6'-METHYL-2'-(METHYLTHIO)-, (1'R,6'R)-REL-
Common Name English
Code System Code Type Description
FDA UNII
45040LTJ4E
Created by admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
PRIMARY
PUBCHEM
14706665
Created by admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
PRIMARY
CAS
130423-14-2
Created by admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID30156549
Created by admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
PRIMARY