(4-morpholin-4-ylcarbothioylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 3,5-dinitrobenzoate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c22-18(13-9-14(20(23)24)11-15(10-13)21(25)26)28-16-3-1-12(2-4-16)17(29)19-5-7-27-8-6-19/h1-4,9-11H,5-8H2