1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-thiomorpholin-4-yl-propan-1-one hydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-thiomorpholin-4-yl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-thiomorpholino-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-thiomorpholin-4-yl-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-thiomorpholin-4-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-thiomorpholino-propan-1-one hydrochloride Formula: C13H17ClN2O5S MolecularWeight: 348.80248

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CSCCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N2O5S.ClH/c16-11(1-2-14-3-5-21-6-4-14)9-7-10(15(19)20)13(18)12(17)8-9;/h7-8,17-18H,1-6H2;1H