[3-chloranyl-4,7-dinitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [3-chloranyl-4,7-dinitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-morpholin-4-yl-methanone Openeye Name: (3-chloro-5,6-dihydroxy-4,7-dinitro-benzothiophen-2-yl)-morpholino-methanone CAS Name: (3-chloro-5,6-dihydroxy-4,7-dinitro-1-benzothiophen-2-yl)-(4-morpholinyl)methanone IUPAC Name: (3-chloro-5,6-dihydroxy-4,7-dinitro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone Traditional Name: (3-chloro-5,6-dihydroxy-4,7-dinitro-benzothiophen-2-yl)-morpholino-methanone Formula: C13H10ClN3O8S MolecularWeight: 403.7518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C3=C(C(=C(C(=C3S2)[N+](=O)[O-])O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C(=O)C2=C(C3=C(C(=C(C(=C3S2)[N+](=O)[O-])O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O8S/c14-6-5-7(16(21)22)9(18)10(19)8(17(23)24)11(5)26-12(6)13(20)15-1-3-25-4-2-15/h18-19H,1-4H2