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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27O2S.I
Molecular Weight 434.375
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXASONIUM IODIDE, (S)-

SMILES

[I-].C[S+](C)CCOC(=O)[C@@H](C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=LZXCSAFKUYXBTJ-UNTBIKODSA-M
InChI=1S/C18H27O2S.HI/c1-21(2)14-13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H27O2S
Molecular Weight 307.471
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HI
Molecular Weight 127.9124
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 Sat Dec 16 10:13:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:39 GMT 2023
Record UNII
EV1CFQ39UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXASONIUM IODIDE, (S)-
Common Name English
SULFONIUM, (2-((2-CYCLOHEXYL-2-PHENYLACETYL)OXY)ETHYL)DIMETHYL-, IODIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
EV1CFQ39UX
Created by admin on Sat Dec 16 10:13:39 GMT 2023 , Edited by admin on Sat Dec 16 10:13:39 GMT 2023
PRIMARY
PUBCHEM
76959486
Created by admin on Sat Dec 16 10:13:39 GMT 2023 , Edited by admin on Sat Dec 16 10:13:39 GMT 2023
PRIMARY
Related Record Type Details
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