2-methyl-4-[[3,4,5-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioate

Systemtic Name: 2-methyl-4-[[3,4,5-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioate Openeye Name: 2-methyl-4-[(3,4,5-trihydroxyphenyl)methyl]piperazine-1-carbodithioate CAS Name: 2-methyl-4-[(3,4,5-trihydroxyphenyl)methyl]-1-piperazinecarbodithioate IUPAC Name: 2-methyl-4-[(3,4,5-trihydroxyphenyl)methyl]piperazine-1-carbodithioate Traditional Name: 2-methyl-4-(3,4,5-trihydroxybenzyl)piperazine-1-carbodithioate Formula: C13H17N2O3S2- MolecularWeight: 313.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)[S-])CC2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

CC1CN(CCN1C(=S)[S-])CC2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C13H18N2O3S2/c1-8-6-14(2-3-15(8)13(19)20)7-9-4-10(16)12(18)11(17)5-9/h4-5,8,16-18H,2-3,6-7H2,1H3,(H,19,20)/p-1