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Details

Stereochemistry RACEMIC
Molecular Formula C7H15O4S.Na
Molecular Weight 218.246
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTANAL SODIUM BISULFITE

SMILES

[Na+].CCCCCCC(O)S([O-])(=O)=O

InChI

InChIKey=QATUVRLKFKBGMW-UHFFFAOYSA-M
InChI=1S/C7H16O4S.Na/c1-2-3-4-5-6-7(8)12(9,10)11;/h7-8H,2-6H2,1H3,(H,9,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H15O4S
Molecular Weight 195.257
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Na
Molecular Weight 22.9898
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 Sat Dec 16 01:25:37 GMT 2023
Edited
by admin
on Sat Dec 16 01:25:37 GMT 2023
Record UNII
8W06V8WH0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTANAL SODIUM BISULFITE
MI  
Systematic Name English
SODIUM 1-HYDROXY-1-HEPTANESULFONATE
Systematic Name English
HEPBISUL
Brand Name English
1-HEPTANESULFONIC ACID, 1-HYDROXY-, SODIUM SALT (1:1)
Systematic Name English
HEPTANAL SODIUM BISULFITE [MI]
Common Name English
HEPTALDEHYDE SODIUM BISULFITE
Common Name English
Code System Code Type Description
CAS
6033-16-5
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
SUPERSEDED
FDA UNII
8W06V8WH0Q
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
SMS_ID
100000138247
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
CAS
13495-04-0
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
PUBCHEM
23674994
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
CAS
878706-91-3
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
SUPERSEDED
MERCK INDEX
m758
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY Merck Index
EVMPD
SUB77673
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID90975738
Created by admin on Sat Dec 16 01:25:37 GMT 2023 , Edited by admin on Sat Dec 16 01:25:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE