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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO9S3.2H3N
Molecular Weight 417.436
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,6-Naphthalenetrisulfonic acid, 7-amino-, diammonium salt

SMILES

N.N.NC1=C(C=C2C=C(C=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=GTFTYISZEPQXHQ-UHFFFAOYSA-N
InChI=1S/C10H9NO9S3.2H3N/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);2*1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H9NO9S3
Molecular Weight 383.375
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 11:55:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:46 GMT 2023
Record UNII
9Q4XMU2PY5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6-Naphthalenetrisulfonic acid, 7-amino-, diammonium salt
Systematic Name English
1,3,6-Naphthalenetrisulfonic acid, 7-amino-, ammonium salt (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
116826
Created by admin on Sat Dec 16 11:55:47 GMT 2023 , Edited by admin on Sat Dec 16 11:55:47 GMT 2023
PRIMARY
FDA UNII
9Q4XMU2PY5
Created by admin on Sat Dec 16 11:55:47 GMT 2023 , Edited by admin on Sat Dec 16 11:55:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
274-800-5
Created by admin on Sat Dec 16 11:55:47 GMT 2023 , Edited by admin on Sat Dec 16 11:55:47 GMT 2023
PRIMARY
CAS
70714-69-1
Created by admin on Sat Dec 16 11:55:47 GMT 2023 , Edited by admin on Sat Dec 16 11:55:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID7072123
Created by admin on Sat Dec 16 11:55:47 GMT 2023 , Edited by admin on Sat Dec 16 11:55:47 GMT 2023
PRIMARY
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