2-methyl-4-[[2,3,4-tris(oxidanyl)-6-propoxycarbonyl-phenyl]methyl]piperazine-1-carbodithioic acid

Systemtic Name: 2-methyl-4-[[2,3,4-tris(oxidanyl)-6-propoxycarbonyl-phenyl]methyl]piperazine-1-carbodithioic acid Openeye Name: 2-methyl-4-[(2,3,4-trihydroxy-6-propoxycarbonyl-phenyl)methyl]piperazine-1-carbodithioic acid CAS Name: 2-methyl-4-[[2,3,4-trihydroxy-6-[oxo(propoxy)methyl]phenyl]methyl]-1-piperazinecarbodithioic acid IUPAC Name: 2-methyl-4-[(2,3,4-trihydroxy-6-propoxycarbonylphenyl)methyl]piperazine-1-carbodithioic acid Traditional Name: 2-methyl-4-(2,3,4-trihydroxy-6-propoxycarbonyl-benzyl)piperazine-1-carbodithioic acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C(=C1CN2CCN(C(C2)C)C(=S)S)O)O)O

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C(=C1CN2CCN(C(C2)C)C(=S)S)O)O)O

InChI

InChI=1S/C17H24N2O5S2/c1-3-6-24-16(23)11-7-13(20)15(22)14(21)12(11)9-18-4-5-19(17(25)26)10(2)8-18/h7,10,20-22H,3-6,8-9H2,1-2H3,(H,25,26)