[4-(disulfomethyl)piperazin-1-yl]methanedisulfonic acid

Systemtic Name: [4-(disulfomethyl)piperazin-1-yl]methanedisulfonic acid Openeye Name: [4-(disulfomethyl)piperazin-1-yl]methanedisulfonic acid CAS Name: [4-(disulfomethyl)-1-piperazinyl]methanedisulfonic acid IUPAC Name: [4-(disulfomethyl)piperazin-1-yl]methanedisulfonic acid Traditional Name: [4-(disulfomethyl)piperazino]methanedisulfonic acid Formula: C6H14N2O12S4 MolecularWeight: 434.44156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H14N2O12S4/c9-21(10,11)5(22(12,13)14)7-1-2-8(4-3-7)6(23(15,16)17)24(18,19)20/h5-6H,1-4H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)(H,18,19,20)