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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16P.I
Molecular Weight 342.1551
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-dimethyl-1,2-dihydrobenzo[e]phosphindol-3-ium iodide

SMILES

[I-].C[P+]1(C)CCC2=C3C=CC=CC3=CC=C12

InChI

InChIKey=JLJIEZDGNGIMKA-UHFFFAOYSA-M
InChI=1S/C14H16P.HI/c1-15(2)10-9-13-12-6-4-3-5-11(12)7-8-14(13)15;/h3-8H,9-10H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H16P
Molecular Weight 215.2506
Charge 1
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 Wed Apr 02 16:03:48 GMT 2025
Edited
by admin
on Wed Apr 02 16:03:48 GMT 2025
Record UNII
5Y88FA7MST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-dimethyl-1,2-dihydrobenzo[e]phosphindol-3-ium iodide
Systematic Name English
NSC-306208
Preferred Name English
1H-Benzo[e]phosphindolium, 2,3-dihydro-3,3-dimethyl-, iodide
Systematic Name English
1H-Benzo[e]phosphindolium, 2,3-dihydro-3,3-dimethyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
5Y88FA7MST
Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025
PRIMARY
CAS
70610-42-3
Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID50220897
Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025
PRIMARY
NSC
306208
Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025
PRIMARY
PUBCHEM
131883773
Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE