4-[[3,4,5-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioic acid

Systemtic Name: 4-[[3,4,5-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioic acid Openeye Name: 4-[(3,4,5-trihydroxyphenyl)methyl]piperazine-1-carbodithioic acid CAS Name: 4-[(3,4,5-trihydroxyphenyl)methyl]-1-piperazinecarbodithioic acid IUPAC Name: 4-[(3,4,5-trihydroxyphenyl)methyl]piperazine-1-carbodithioic acid Traditional Name: 4-(3,4,5-trihydroxybenzyl)piperazine-1-carbodithioic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C(=C2)O)O)O)C(=S)S

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C(=C2)O)O)O)C(=S)S

InChI

InChI=1S/C12H16N2O3S2/c15-9-5-8(6-10(16)11(9)17)7-13-1-3-14(4-2-13)12(18)19/h5-6,15-17H,1-4,7H2,(H,18,19)