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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15NO9S3
Molecular Weight 473.497
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Hydroxy-1-(p-tolylsulfonylamino)-3,6-naphthalenedisulfonic acid

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(O)=CC(=CC3=CC(=C2)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=QVLDIIYDXICVCJ-UHFFFAOYSA-N
InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C17H15NO9S3
Molecular Weight 473.497
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 10:56:15 GMT 2023
Edited
by admin
on Sat Dec 16 10:56:15 GMT 2023
Record UNII
HAQ3CPH2LP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Hydroxy-1-(p-tolylsulfonylamino)-3,6-naphthalenedisulfonic acid
Systematic Name English
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-
Systematic Name English
1-(p-Tolylsulfonylamino)-8-hydroxy-3,6-naphthalenedisulfonic acid
Systematic Name English
1-Naphthol-3,6-disulfonic acid, 8-p-toluenesulfonamido-
Systematic Name English
4-Hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid
Systematic Name English
1-[(4-Methylphenylsulfonyl)amino]-8-hydroxynaphthalene-3,6-disulfonic acid
Systematic Name English
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-p-toluenesulfonamido-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
229-959-5
Created by admin on Sat Dec 16 10:56:15 GMT 2023 , Edited by admin on Sat Dec 16 10:56:15 GMT 2023
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FDA UNII
HAQ3CPH2LP
Created by admin on Sat Dec 16 10:56:15 GMT 2023 , Edited by admin on Sat Dec 16 10:56:15 GMT 2023
PRIMARY
CAS
6860-97-5
Created by admin on Sat Dec 16 10:56:15 GMT 2023 , Edited by admin on Sat Dec 16 10:56:15 GMT 2023
PRIMARY
PUBCHEM
81300
Created by admin on Sat Dec 16 10:56:15 GMT 2023 , Edited by admin on Sat Dec 16 10:56:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID2064496
Created by admin on Sat Dec 16 10:56:15 GMT 2023 , Edited by admin on Sat Dec 16 10:56:15 GMT 2023
PRIMARY