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Details

Stereochemistry ACHIRAL
Molecular Formula C29H23NO
Molecular Weight 401.499
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(2-((1,1'-BIPHENYL)-4-YL)VINYL)PHENYL)-5,7-DIMETHYLBENZOXAZOLE

SMILES

CC1=CC(C)=C2OC(=NC2=C1)C3=CC=C(\C=C\C4=CC=C(C=C4)C5=CC=CC=C5)C=C3

InChI

InChIKey=PQKKXHAZEZTNFG-CMDGGOBGSA-N
InChI=1S/C29H23NO/c1-20-18-21(2)28-27(19-20)30-29(31-28)26-16-12-23(13-17-26)9-8-22-10-14-25(15-11-22)24-6-4-3-5-7-24/h3-19H,1-2H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C29H23NO
Molecular Weight 401.499
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:50:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:50:54 GMT 2023
Record UNII
WA3SY46WLQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(2-((1,1'-BIPHENYL)-4-YL)VINYL)PHENYL)-5,7-DIMETHYLBENZOXAZOLE
Systematic Name English
2-(4-(2-(1,1'-BIPHENYL)-4-YLETHENYL)PHENYL)-5,7-DIMETHYLBENZOXAZOLE
Systematic Name English
BENZOXAZOLE, 2-(4-(2-(1,1'-BIPHENYL)-4-YLETHENYL)PHENYL)-5,7-DIMETHYL-
Systematic Name English
BENZOXAZOLE, 2-(4-(2-((1,1'-BIPHENYL)-4-YL)ETHENYL)PHENYL)-5,7-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-048-7
Created by admin on Sat Dec 16 11:50:54 GMT 2023 , Edited by admin on Sat Dec 16 11:50:54 GMT 2023
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FDA UNII
WA3SY46WLQ
Created by admin on Sat Dec 16 11:50:54 GMT 2023 , Edited by admin on Sat Dec 16 11:50:54 GMT 2023
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CAS
40704-04-9
Created by admin on Sat Dec 16 11:50:54 GMT 2023 , Edited by admin on Sat Dec 16 11:50:54 GMT 2023
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PUBCHEM
6441624
Created by admin on Sat Dec 16 11:50:54 GMT 2023 , Edited by admin on Sat Dec 16 11:50:54 GMT 2023
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EPA CompTox
DTXSID9068249
Created by admin on Sat Dec 16 11:50:54 GMT 2023 , Edited by admin on Sat Dec 16 11:50:54 GMT 2023
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