[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 2,4-dinitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 2,4-dinitrobenzoate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H13Br2N3O7S MolecularWeight: 575.18472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Br2N3O7S/c19-13-7-10(17(31)21-3-5-29-6-4-21)8-14(20)16(13)30-18(24)12-2-1-11(22(25)26)9-15(12)23(27)28/h1-2,7-9H,3-6H2