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Details

Stereochemistry MIXED
Molecular Formula C18H20O6S
Molecular Weight 364.413
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-((E)-((1SR,4SR)-7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)BICYCLO(2.2.1)HEPTAN-2-YLIDENE)METHYL)BENZOIC ACID

SMILES

CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)\C2=C\C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=HEDJLCHSVXMEMJ-UKTHLTGXSA-N
InChI=1S/C18H20O6S/c1-17(2)14-7-8-18(17,10-25(22,23)24)15(19)13(14)9-11-3-5-12(6-4-11)16(20)21/h3-6,9,14H,7-8,10H2,1-2H3,(H,20,21)(H,22,23,24)/b13-9+

HIDE SMILES / InChI

Molecular Formula C18H20O6S
Molecular Weight 364.413
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:48:45 GMT 2023
Edited
by admin
on Sat Dec 16 04:48:45 GMT 2023
Record UNII
OXK4UWT2RL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((E)-((1SR,4SR)-7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)BICYCLO(2.2.1)HEPTAN-2-YLIDENE)METHYL)BENZOIC ACID
Systematic Name English
4-((7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)BICYCLO(2.2.1)HEPTAN-2-YLIDENE)METHYL)BENZOIC ACID, (±)-E-
Common Name English
ECAMSULE RELATED COMPOUND F [USP IMPURITY]
Common Name English
ECAMSULE RELATED COMPOUND F [USP-RS]
Common Name English
ECAMSULE RELATED COMPOUND F RS
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1231660
Created by admin on Sat Dec 16 04:48:45 GMT 2023 , Edited by admin on Sat Dec 16 04:48:45 GMT 2023
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FDA UNII
OXK4UWT2RL
Created by admin on Sat Dec 16 04:48:45 GMT 2023 , Edited by admin on Sat Dec 16 04:48:45 GMT 2023
PRIMARY
PUBCHEM
21289735
Created by admin on Sat Dec 16 04:48:45 GMT 2023 , Edited by admin on Sat Dec 16 04:48:45 GMT 2023
PRIMARY