3-nitro-4-oxidanyl-cyclohexa-2,4-diene-1-thione

Systemtic Name: 3-nitro-4-oxidanyl-cyclohexa-2,4-diene-1-thione Openeye Name: 4-hydroxy-3-nitro-cyclohexa-2,4-diene-1-thione CAS Name: 4-hydroxy-3-nitro-1-cyclohexa-2,4-dienethione IUPAC Name: 4-hydroxy-3-nitrocyclohexa-2,4-diene-1-thione Traditional Name: 4-hydroxy-3-nitro-cyclohexa-2,4-diene-1-thione Formula: C6H5NO3S MolecularWeight: 171.1738

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=S)[N+](=O)[O-])O

Isomeric SMILES

C1C=C(C(=CC1=S)[N+](=O)[O-])O

InChI

InChI=1S/C6H5NO3S/c8-6-2-1-4(11)3-5(6)7(9)10/h2-3,8H,1H2