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Details

Stereochemistry ACHIRAL
Molecular Formula C10H6NO9S3.3Na
Molecular Weight 449.32
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trisodium 7-aminonaphthalene-1,3,6-trisulfonate

SMILES

[Na+].[Na+].[Na+].NC1=C(C=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=JNVDPZMCBPFWKR-UHFFFAOYSA-K
InChI=1S/C10H9NO9S3.3Na/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3

HIDE SMILES / InChI

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

Molecular Formula C10H6NO9S3
Molecular Weight 380.351
Charge -3
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 17:31:02 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:02 GMT 2023
Record UNII
JHV5STQ48N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trisodium 7-aminonaphthalene-1,3,6-trisulfonate
Systematic Name English
Trisodium 2-amino-3,6,8-naphthalenetrisulfonate
Systematic Name English
1,3,6-Naphthalenetrisulfonic acid, 7-amino-, trisodium salt
Systematic Name English
Trisodium 7-aminonaphthalene-1,3,6-trisulphonate
Systematic Name English
1,3,6-Naphthalenetrisulfonic acid, 7-amino-, sodium salt (1:3)
Systematic Name English
Code System Code Type Description
FDA UNII
JHV5STQ48N
Created by admin on Sat Dec 16 17:31:02 GMT 2023 , Edited by admin on Sat Dec 16 17:31:02 GMT 2023
PRIMARY
PUBCHEM
170454
Created by admin on Sat Dec 16 17:31:02 GMT 2023 , Edited by admin on Sat Dec 16 17:31:02 GMT 2023
PRIMARY
CAS
54914-98-6
Created by admin on Sat Dec 16 17:31:02 GMT 2023 , Edited by admin on Sat Dec 16 17:31:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID10970245
Created by admin on Sat Dec 16 17:31:02 GMT 2023 , Edited by admin on Sat Dec 16 17:31:02 GMT 2023
PRIMARY
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