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Details

Stereochemistry RACEMIC
Molecular Formula C25H24O4S
Molecular Weight 420.521
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((10-ETHYL-11-(4-HYDROXYPHENYL)DIBENZO(B,F)THIEPIN-3-YL)OXY)-1,2-PROPANEDIOL

SMILES

CCC1=C(C2=CC=C(O)C=C2)C3=C(SC4=CC=CC=C14)C=C(OCC(O)CO)C=C3

InChI

InChIKey=ALAWFOUNZCSZPS-UHFFFAOYSA-N
InChI=1S/C25H24O4S/c1-2-20-21-5-3-4-6-23(21)30-24-13-19(29-15-18(28)14-26)11-12-22(24)25(20)16-7-9-17(27)10-8-16/h3-13,18,26-28H,2,14-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C25H24O4S
Molecular Weight 420.521
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:52 GMT 2023
Record UNII
VPE0K6LKXQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((10-ETHYL-11-(4-HYDROXYPHENYL)DIBENZO(B,F)THIEPIN-3-YL)OXY)-1,2-PROPANEDIOL
Systematic Name English
1,2-PROPANEDIOL, 3-((10-ETHYL-11-(P-HYDROXYPHENYL)DIBENZO(B,F)THIEPIN-3-YL)OXY)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001006417
Created by admin on Sat Dec 16 08:09:52 GMT 2023 , Edited by admin on Sat Dec 16 08:09:52 GMT 2023
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FDA UNII
VPE0K6LKXQ
Created by admin on Sat Dec 16 08:09:52 GMT 2023 , Edited by admin on Sat Dec 16 08:09:52 GMT 2023
PRIMARY
PUBCHEM
3070125
Created by admin on Sat Dec 16 08:09:52 GMT 2023 , Edited by admin on Sat Dec 16 08:09:52 GMT 2023
PRIMARY
CAS
85850-94-8
Created by admin on Sat Dec 16 08:09:52 GMT 2023 , Edited by admin on Sat Dec 16 08:09:52 GMT 2023
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