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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14
Molecular Weight 170.2503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,7-Trimethylnaphthalene

SMILES

CC1=CC2=C(C=C1)C=C(C)C=C2C

InChI

InChIKey=HXDVFWJRDVUZFT-UHFFFAOYSA-N
InChI=1S/C13H14/c1-9-4-5-12-7-10(2)6-11(3)13(12)8-9/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H14
Molecular Weight 170.2503
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:17:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:41 GMT 2025
Record UNII
3Z29PKT7H3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Naphthalene, 1,3,7-trimethyl-
Preferred Name English
1,3,7-Trimethylnaphthalene
Systematic Name English
Code System Code Type Description
FDA UNII
3Z29PKT7H3
Created by admin on Tue Apr 01 19:17:41 GMT 2025 , Edited by admin on Tue Apr 01 19:17:41 GMT 2025
PRIMARY
CAS
2131-38-6
Created by admin on Tue Apr 01 19:17:41 GMT 2025 , Edited by admin on Tue Apr 01 19:17:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID30175573
Created by admin on Tue Apr 01 19:17:41 GMT 2025 , Edited by admin on Tue Apr 01 19:17:41 GMT 2025
PRIMARY
PUBCHEM
16477
Created by admin on Tue Apr 01 19:17:41 GMT 2025 , Edited by admin on Tue Apr 01 19:17:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-354-1
Created by admin on Tue Apr 01 19:17:41 GMT 2025 , Edited by admin on Tue Apr 01 19:17:41 GMT 2025
PRIMARY