3-[4-(3-sulfonatopropylsulfanylcarbothioyl)piperazin-1-yl]carbothioylsulfanylpropane-1-sulfonate

Systemtic Name: 3-[4-(3-sulfonatopropylsulfanylcarbothioyl)piperazin-1-yl]carbothioylsulfanylpropane-1-sulfonate Openeye Name: 3-[4-(3-sulfonatopropylsulfanylcarbothioyl)piperazine-1-carbothioyl]sulfanylpropane-1-sulfonate CAS Name: 3-[[sulfanylidene-[4-[sulfanylidene-(3-sulfonatopropylthio)methyl]-1-piperazinyl]methyl]thio]-1-propanesulfonate IUPAC Name: 3-[4-(3-sulfonatopropylsulfanylcarbothioyl)piperazine-1-carbothioyl]sulfanylpropane-1-sulfonate Traditional Name: 3-[[4-(3-sulfonatopropylthio)carbothioylpiperazine-1-carbothioyl]thio]propane-1-sulfonate Formula: C12H20N2O6S6-2 MolecularWeight: 480.687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)SCCCS(=O)(=O)[O-])C(=S)SCCCS(=O)(=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)SCCCS(=O)(=O)[O-])C(=S)SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H22N2O6S6/c15-25(16,17)9-1-7-23-11(21)13-3-5-14(6-4-13)12(22)24-8-2-10-26(18,19)20/h1-10H2,(H,15,16,17)(H,18,19,20)/p-2