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2-nitrothiophene hydrate

2-nitrothiophene hydrate

Systemtic Name:2-nitrothiophene hydrate
Openeye Name:2-nitrothiophene hydrate
CAS Name:2-nitrothiophene hydrate
IUPAC Name:2-nitrothiophene hydrate
Traditional Name:2-nitrothiophene hydrate
Formula: C8H8N2O5S2
MolecularWeight: 276.28952
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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)[N+](=O)[O-].C1=CSC(=C1)[N+](=O)[O-].O


Isomeric SMILES

C1=CSC(=C1)[N+](=O)[O-].C1=CSC(=C1)[N+](=O)[O-].O


InChI

InChI=1S/2C4H3NO2S.H2O/c2*6-5(7)4-2-1-3-8-4;/h2*1-3H;1H2


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