(3-ethyl-2-methoxy-5-nitro-phenyl)sulfanylmethanethioic S-acid

Systemtic Name: (3-ethyl-2-methoxy-5-nitro-phenyl)sulfanylmethanethioic S-acid Openeye Name: (3-ethyl-2-methoxy-5-nitro-phenyl)sulfanylmethanethioic S-acid CAS Name: [(3-ethyl-2-methoxy-5-nitrophenyl)thio]methanethioic S-acid IUPAC Name: (3-ethyl-2-methoxy-5-nitrophenyl)sulfanylmethanethioic S-acid Traditional Name: [(3-ethyl-2-methoxy-5-nitro-phenyl)thio]thioformic acid Formula: C10H11NO4S2 MolecularWeight: 273.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OC)SC(=O)S)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC(=C1OC)SC(=O)S)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S2/c1-3-6-4-7(11(13)14)5-8(9(6)15-2)17-10(12)16/h4-5H,3H2,1-2H3,(H,12,16)