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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38O2
Molecular Weight 442.6322
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLBUTYLPHENYL HEPTYLBIPHENYLCARBOXYLATE, (2S)-

SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C[C@@H](C)CC)C=C3

InChI

InChIKey=OFPKTMNHQRPVJW-DEOSSOPVSA-N
InChI=1S/C31H38O2/c1-4-6-7-8-9-10-25-11-15-27(16-12-25)28-17-19-29(20-18-28)31(32)33-30-21-13-26(14-22-30)23-24(3)5-2/h11-22,24H,4-10,23H2,1-3H3/t24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYLBUTYLPHENYL HEPTYLBIPHENYLCARBOXYLATE, (2S)-
Common Name English
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-HEPTYL-, 4-(2-METHYLBUTYL)PHENYL ESTER, (S)-
Common Name English
METHYLBUTYLPHENYL HEPTYLBIPHENYLCARBOXYLATE [INCI]
Common Name English
METHYLBUTYLPHENYL HEPTYLBIPHENYLCARBOXYLATE
INCI  
INCI  
Official Name English
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-HEPTYL-, 4-((2S)-2-METHYLBUTYL)PHENYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
274-116-7
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
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EPA CompTox
DTXSID60887672
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
PUBCHEM
21118875
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
CAS
69777-71-5
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
FDA UNII
5Q8EJN5495
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY