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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H8
Molecular Weight 164.2026
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLHEPTATRIYNE

SMILES

CC#CC#CC#CC1=CC=CC=C1

InChI

InChIKey=ACKWHAMNCLDPRO-UHFFFAOYSA-N
InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENYLHEPTATRIYNE
Common Name English
1,3,5-HEPTATRIYN-1-YLBENZENE
Preferred Name English
BENZENE, 1,3,5-HEPTATRIYN-1-YL-
Common Name English
PHENYL-1,3,5-HEPTATRIYNE, 1-
Systematic Name English
BENZENE, 1,3,5-HEPTATRIYNYL-
Systematic Name English
1,3,5-HEPTATRIYNYL-BENZENE
Systematic Name English
1-PHENYL-1,3,5-HEPTATRIYNE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00195622
Created by admin on Mon Mar 31 18:52:55 GMT 2025 , Edited by admin on Mon Mar 31 18:52:55 GMT 2025
PRIMARY
PUBCHEM
77981
Created by admin on Mon Mar 31 18:52:55 GMT 2025 , Edited by admin on Mon Mar 31 18:52:55 GMT 2025
PRIMARY
CAS
4300-27-0
Created by admin on Mon Mar 31 18:52:55 GMT 2025 , Edited by admin on Mon Mar 31 18:52:55 GMT 2025
PRIMARY
FDA UNII
BL44U3V466
Created by admin on Mon Mar 31 18:52:55 GMT 2025 , Edited by admin on Mon Mar 31 18:52:55 GMT 2025
PRIMARY