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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O8S2
Molecular Weight 424.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 4,4'-dithiobis(3-nitrobenzoate)

SMILES

COC(=O)C1=CC(=C(SSC2=CC=C(C=C2[N+]([O-])=O)C(=O)OC)C=C1)[N+]([O-])=O

InChI

InChIKey=UYYXQLZKGJWXIQ-UHFFFAOYSA-N
InChI=1S/C16H12N2O8S2/c1-25-15(19)9-3-5-13(11(7-9)17(21)22)27-28-14-6-4-10(16(20)26-2)8-12(14)18(23)24/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H12N2O8S2
Molecular Weight 424.405
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
Y22X4RGQ55
Record Status Validated (UNII)
Record Version