2,5-diethoxy-6-(4-methylphenyl)-3-nitro-benzenethiol

Systemtic Name: 2,5-diethoxy-6-(4-methylphenyl)-3-nitro-benzenethiol Openeye Name: 2,5-diethoxy-3-nitro-6-(p-tolyl)benzenethiol CAS Name: 2,5-diethoxy-6-(4-methylphenyl)-3-nitrobenzenethiol IUPAC Name: 2,5-diethoxy-6-(4-methylphenyl)-3-nitrobenzenethiol Traditional Name: 2,5-diethoxy-3-nitro-6-(p-tolyl)benzenethiol Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)[N+](=O)[O-])OCC)S)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)[N+](=O)[O-])OCC)S)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H19NO4S/c1-4-21-14-10-13(18(19)20)16(22-5-2)17(23)15(14)12-8-6-11(3)7-9-12/h6-10,23H,4-5H2,1-3H3