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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H5O4S.Ca
Molecular Weight 386.411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM PHENOLSULFONATE

SMILES

[Ca++].OC1=CC=C(C=C1)S([O-])(=O)=O.OC2=CC=C(C=C2)S([O-])(=O)=O

InChI

InChIKey=JVEDXKIOAFPPPG-UHFFFAOYSA-L
InChI=1S/2C6H6O4S.Ca/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H5O4S
Molecular Weight 173.167
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 Fri Dec 15 15:06:21 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:21 GMT 2023
Record UNII
199995D30M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM PHENOLSULFONATE
MI  
Common Name English
CALCIUM BIS(4-HYDROXYBENZENESULPHONATE)
Systematic Name English
BENZENESULFONIC ACID, P-HYDROXY-, CALCIUM SALT (2:1)
Systematic Name English
CALCIUM PHENOLSULPHONATE
Common Name English
P-HYDROXYBENZENESULFONIC ACID CALCIUM SALT
Common Name English
BENZENESULFONIC ACID, 4-HYDROXY-, CALCIUM SALT (2:1)
Systematic Name English
CALCIUM PHENOLSULFONATE [MI]
Common Name English
CALCIUM SULFOPHENOLATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80155365
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-868-3
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY
MERCK INDEX
m2962
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY Merck Index
CAS
127-83-3
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY
PUBCHEM
31392
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY
FDA UNII
199995D30M
Created by admin on Fri Dec 15 15:06:21 GMT 2023 , Edited by admin on Fri Dec 15 15:06:21 GMT 2023
PRIMARY