(5-methoxy-2,4-dinitro-phenyl)methanethiol

Systemtic Name: (5-methoxy-2,4-dinitro-phenyl)methanethiol Openeye Name: (5-methoxy-2,4-dinitro-phenyl)methanethiol CAS Name: (5-methoxy-2,4-dinitrophenyl)methanethiol IUPAC Name: (5-methoxy-2,4-dinitrophenyl)methanethiol Traditional Name: (5-methoxy-2,4-dinitro-phenyl)methanethiol Formula: C8H8N2O5S MolecularWeight: 244.22452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CS)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)CS)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O5S/c1-15-8-2-5(4-16)6(9(11)12)3-7(8)10(13)14/h2-3,16H,4H2,1H3