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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16O5S
Molecular Weight 332.371
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ECHINOTHIOPHENEGENOL

SMILES

OCC\C=C\C=C\[C@H]1OC(=O)C2=C1C(O)=CC3=C2SC(CO)=C3

InChI

InChIKey=VRAJZIDBLDYEOU-WXRNFGLNSA-N
InChI=1S/C17H16O5S/c18-6-4-2-1-3-5-13-14-12(20)8-10-7-11(9-19)23-16(10)15(14)17(21)22-13/h1-3,5,7-8,13,18-20H,4,6,9H2/b2-1+,5-3+/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16O5S
Molecular Weight 332.371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:54 GMT 2023
Record UNII
WL6622Y397
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECHINOTHIOPHENEGENOL
Common Name English
THIENO(2,3-E)ISOBENZOFURAN-8(6H)-ONE, 5-HYDROXY-6-((1E,3E)-6-HYDROXY-1,3-HEXADIEN-1-YL)-2-(HYDROXYMETHYL)-, (6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941993
Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023
PRIMARY
CAS
1199225-11-0
Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023
PRIMARY
FDA UNII
WL6622Y397
Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023
PRIMARY