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O-propan-2-yl (6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethanethioate

O-propan-2-yl (6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethanethioate

Systemtic Name:O-propan-2-yl (6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethanethioate
Openeye Name:O-isopropyl (6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethanethioate
CAS Name:[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methanethioic acid O-propan-2-yl ester
IUPAC Name:O-propan-2-yl (6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethanethioate
Traditional Name:[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methanethioic acid O-isopropyl ester
Formula: C13H15NO5S2
MolecularWeight: 329.3919
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2


Isomeric SMILES

CC(C)OC(=S)SCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2


InChI

InChI=1S/C13H15NO5S2/c1-8(2)19-13(20)21-6-10-4-11(14(15)16)3-9-5-17-7-18-12(9)10/h3-4,8H,5-7H2,1-2H3


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