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O-[(2-nitrophenyl)methyl] methanethioate

O-[(2-nitrophenyl)methyl] methanethioate

Systemtic Name:O-[(2-nitrophenyl)methyl] methanethioate
Openeye Name:O-[(2-nitrophenyl)methyl] methanethioate
CAS Name:methanethioic acid O-[(2-nitrophenyl)methyl] ester
IUPAC Name:O-[(2-nitrophenyl)methyl] methanethioate
Traditional Name:methanethioic acid O-(2-nitrobenzyl) ester
Formula: C8H7NO3S
MolecularWeight: 197.21108
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC=S)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)COC=S)[N+](=O)[O-]


InChI

InChI=1S/C8H7NO3S/c10-9(11)8-4-2-1-3-7(8)5-12-6-13/h1-4,6H,5H2


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