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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18OP.I
Molecular Weight 372.1811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYL-4,5-DIHYDRO-3H-3LAMBDA(5)-BENZO(E)PHOSPHINDOL-7-YL METHYL ETHER, IODIDE

SMILES

[I-].COC1=CC=C2C3=C(CCC2=C1)[P+](C)(C)C=C3

InChI

InChIKey=ZRDQKAICCVQVGC-UHFFFAOYSA-M
InChI=1S/C15H18OP.HI/c1-16-12-5-6-13-11(10-12)4-7-15-14(13)8-9-17(15,2)3;/h5-6,8-10H,4,7H2,1-3H3;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 C15H18OP
Molecular Weight 245.2766
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 16:03:49 GMT 2025
Edited
by admin
on Wed Apr 02 16:03:49 GMT 2025
Record UNII
589FC67S5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-306211
Preferred Name English
3,3-DIMETHYL-4,5-DIHYDRO-3H-3LAMBDA(5)-BENZO(E)PHOSPHINDOL-7-YL METHYL ETHER, IODIDE
Common Name English
3H-Benzo[e]phosphindolium, 4,5-dihydro-7-methoxy-3,3-dimethyl-, iodide (1:1)
Systematic Name English
3H-Benzo[e]phosphindolium, 4,5-dihydro-7-methoxy-3,3-dimethyl-, iodide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70231405
Created by admin on Wed Apr 02 16:03:49 GMT 2025 , Edited by admin on Wed Apr 02 16:03:49 GMT 2025
PRIMARY
PUBCHEM
131885541
Created by admin on Wed Apr 02 16:03:49 GMT 2025 , Edited by admin on Wed Apr 02 16:03:49 GMT 2025
PRIMARY
FDA UNII
589FC67S5N
Created by admin on Wed Apr 02 16:03:49 GMT 2025 , Edited by admin on Wed Apr 02 16:03:49 GMT 2025
PRIMARY
NSC
306211
Created by admin on Wed Apr 02 16:03:49 GMT 2025 , Edited by admin on Wed Apr 02 16:03:49 GMT 2025
PRIMARY
CAS
81823-83-8
Created by admin on Wed Apr 02 16:03:49 GMT 2025 , Edited by admin on Wed Apr 02 16:03:49 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE