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Details

Stereochemistry ACHIRAL
Molecular Formula C32H18N4O8S3
Molecular Weight 682.702
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, thiodi-4,1-phenylene ester

SMILES

[N-]=[N+]=C1C=CC2=C(C=CC=C2C1=O)S(=O)(=O)OC3=CC=C(SC4=CC=C(OS(=O)(=O)C5=CC=CC6=C5C=CC(=[N+]=[N-])C6=O)C=C4)C=C3

InChI

InChIKey=DZDIWDGDFAMSTD-UHFFFAOYSA-N
InChI=1S/C32H18N4O8S3/c33-35-27-17-15-23-25(31(27)37)3-1-5-29(23)46(39,40)43-19-7-11-21(12-8-19)45-22-13-9-20(10-14-22)44-47(41,42)30-6-2-4-26-24(30)16-18-28(36-34)32(26)38/h1-18H

HIDE SMILES / InChI

Molecular Formula C32H18N4O8S3
Molecular Weight 682.702
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:20:23 GMT 2023
Edited
by admin
on Sat Dec 16 12:20:23 GMT 2023
Record UNII
EE3MF8S79C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, thiodi-4,1-phenylene ester
Common Name English
1,1′-(Thiodi-4,1-phenylene) bis(6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonate)
Systematic Name English
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1,1′-(thiodi-4,1-phenylene) ester
Systematic Name English
Code System Code Type Description
FDA UNII
EE3MF8S79C
Created by admin on Sat Dec 16 12:20:23 GMT 2023 , Edited by admin on Sat Dec 16 12:20:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
272-667-8
Created by admin on Sat Dec 16 12:20:23 GMT 2023 , Edited by admin on Sat Dec 16 12:20:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID1071828
Created by admin on Sat Dec 16 12:20:23 GMT 2023 , Edited by admin on Sat Dec 16 12:20:23 GMT 2023
PRIMARY
CAS
68901-24-6
Created by admin on Sat Dec 16 12:20:23 GMT 2023 , Edited by admin on Sat Dec 16 12:20:23 GMT 2023
PRIMARY
PUBCHEM
111730
Created by admin on Sat Dec 16 12:20:23 GMT 2023 , Edited by admin on Sat Dec 16 12:20:23 GMT 2023
PRIMARY