butyl 7-methyl-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: butyl 7-methyl-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: butyl 7-methyl-3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 7-methyl-3-nitro-9-oxo-1-thioxanthenecarboxylic acid butyl ester IUPAC Name: butyl 7-methyl-3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-7-methyl-3-nitro-thioxanthene-1-carboxylic acid butyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=C(S2)C=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=C(S2)C=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5S/c1-3-4-7-25-19(22)14-9-12(20(23)24)10-16-17(14)18(21)13-8-11(2)5-6-15(13)26-16/h5-6,8-10H,3-4,7H2,1-2H3