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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O
Molecular Weight 262.4302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRI-TERT-BUTYLPHENOL

SMILES

CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

InChI

InChIKey=PFEFOYRSMXVNEL-UHFFFAOYSA-N
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

HIDE SMILES / InChI

Molecular Formula C18H30O
Molecular Weight 262.4302
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
99J2VIC675
Record Status Validated (UNII)
Record Version