(2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate

Systemtic Name: (2-iodanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-iodo-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-iodo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H16IN3O8S MolecularWeight: 573.31511

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)I)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)I)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16IN3O8S/c1-29-16-9-11(18(32)21-4-6-30-7-5-21)8-14(20)17(16)31-19(24)13-3-2-12(22(25)26)10-15(13)23(27)28/h2-3,8-10H,4-7H2,1H3