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Details

Stereochemistry ACHIRAL
Molecular Formula C27H20N2O8S2
Molecular Weight 564.586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(NC3=CC(=C(N)C4=C3C(=O)C5=CC=CC=C5C4=O)S(O)(=O)=O)C=C2

InChI

InChIKey=FDEABYDIRZEBLW-UHFFFAOYSA-N
InChI=1S/C27H20N2O8S2/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31/h2-14,29H,28H2,1H3,(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula C27H20N2O8S2
Molecular Weight 564.586
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 12:32:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:00 GMT 2023
Record UNII
65A596CQ4B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-
Common Name English
1-Amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid
Systematic Name English
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dioxo-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
272-428-8
Created by admin on Sat Dec 16 12:32:00 GMT 2023 , Edited by admin on Sat Dec 16 12:32:00 GMT 2023
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CAS
68834-02-6
Created by admin on Sat Dec 16 12:32:00 GMT 2023 , Edited by admin on Sat Dec 16 12:32:00 GMT 2023
PRIMARY
PUBCHEM
106264
Created by admin on Sat Dec 16 12:32:00 GMT 2023 , Edited by admin on Sat Dec 16 12:32:00 GMT 2023
PRIMARY
FDA UNII
65A596CQ4B
Created by admin on Sat Dec 16 12:32:00 GMT 2023 , Edited by admin on Sat Dec 16 12:32:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID3071773
Created by admin on Sat Dec 16 12:32:00 GMT 2023 , Edited by admin on Sat Dec 16 12:32:00 GMT 2023
PRIMARY