(3,5-dimethoxy-4-oxidanylsulfanyl-phenyl)-thiomorpholin-4-yl-methanone; ethanoic acid

Systemtic Name: (3,5-dimethoxy-4-oxidanylsulfanyl-phenyl)-thiomorpholin-4-yl-methanone; ethanoic acid Openeye Name: acetic acid; (4-hydroxysulfanyl-3,5-dimethoxy-phenyl)-thiomorpholino-methanone CAS Name: acetic acid; 2,6-dimethoxy-4-[oxo(thiomorpholin-4-yl)methyl]benzenesulfenic acid IUPAC Name: acetic acid; (4-hydroxysulfanyl-3,5-dimethoxyphenyl)-thiomorpholin-4-ylmethanone Traditional Name: acetic acid; (3,5-dimethoxy-4-sulfeno-phenyl)-thiomorpholino-methanone Formula: C15H21NO6S2 MolecularWeight: 375.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC(=CC(=C1SO)OC)C(=O)N2CCSCC2

Isomeric SMILES

CC(=O)O.COC1=CC(=CC(=C1SO)OC)C(=O)N2CCSCC2

InChI

InChI=1S/C13H17NO4S2.C2H4O2/c1-17-10-7-9(8-11(18-2)12(10)20-16)13(15)14-3-5-19-6-4-14;1-2(3)4/h7-8,16H,3-6H2,1-2H3;1H3,(H,3,4)