U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C31H32O
Molecular Weight 420.5852
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRIS(ALPHA-METHYLBENZYL)-M-CRESOL

SMILES

CC(C1=CC=CC=C1)C2=CC(C(C)C3=CC=CC=C3)=C(O)C(C(C)C4=CC=CC=C4)=C2C

InChI

InChIKey=YXWZNDVRSGZKDS-UHFFFAOYSA-N
InChI=1S/C31H32O/c1-21(25-14-8-5-9-15-25)28-20-29(22(2)26-16-10-6-11-17-26)31(32)30(24(28)4)23(3)27-18-12-7-13-19-27/h5-23,32H,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2,4,6-TRIS(ALPHA-METHYLBENZYL)-M-CRESOL
Systematic Name English
Code System Code Type Description
CAS
60834-78-8
Created by admin on Sat Dec 16 04:50:05 GMT 2023 , Edited by admin on Sat Dec 16 04:50:05 GMT 2023
PRIMARY
PUBCHEM
101277627
Created by admin on Sat Dec 16 04:50:05 GMT 2023 , Edited by admin on Sat Dec 16 04:50:05 GMT 2023
PRIMARY
FDA UNII
716K7KOJ62
Created by admin on Sat Dec 16 04:50:05 GMT 2023 , Edited by admin on Sat Dec 16 04:50:05 GMT 2023
PRIMARY