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Details

Stereochemistry RACEMIC
Molecular Formula C26H26O4S
Molecular Weight 434.547
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((11-ETHYL-12-(4-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)1,2-PROPANEDIOL

SMILES

CCC1=C(C2=CC=C(O)C=C2)C3=C(SCC4=CC=CC=C14)C=C(OCC(O)CO)C=C3

InChI

InChIKey=CNRYVGFMLOYJPF-ROMGYVFFSA-N
InChI=1S/C26H26O4S/c1-2-22-23-6-4-3-5-18(23)16-31-25-13-21(30-15-20(29)14-27)11-12-24(25)26(22)17-7-9-19(28)10-8-17/h3-13,20,27-29H,2,14-16H2,1H3/b26-22-

HIDE SMILES / InChI

Molecular Formula C26H26O4S
Molecular Weight 434.547
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 07:52:52 GMT 2023
Edited
by admin
on Sat Dec 16 07:52:52 GMT 2023
Record UNII
TLA0QJD1NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((11-ETHYL-12-(4-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)1,2-PROPANEDIOL
Systematic Name English
1,2-PROPANEDIOL, 3-((11-ETHYL-12-(4-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-
Systematic Name English
1,2-PROPANEDIOL, 3-((11-ETHYL-12-(P-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-
Common Name English
Code System Code Type Description
PUBCHEM
3070127
Created by admin on Sat Dec 16 07:52:52 GMT 2023 , Edited by admin on Sat Dec 16 07:52:52 GMT 2023
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FDA UNII
TLA0QJD1NY
Created by admin on Sat Dec 16 07:52:52 GMT 2023 , Edited by admin on Sat Dec 16 07:52:52 GMT 2023
PRIMARY
CAS
85864-54-6
Created by admin on Sat Dec 16 07:52:52 GMT 2023 , Edited by admin on Sat Dec 16 07:52:52 GMT 2023
PRIMARY