disodium [4-(disulfomethyl)piperazin-1-yl]methanedisulfonate

Systemtic Name: disodium [4-(disulfomethyl)piperazin-1-yl]methanedisulfonate Openeye Name: disodium [4-(disulfomethyl)piperazin-1-yl]methanedisulfonate CAS Name: disodium [4-(disulfomethyl)-1-piperazinyl]methanedisulfonate IUPAC Name: disodium [4-(disulfomethyl)piperazin-1-yl]methanedisulfonate Traditional Name: disodium [4-(disulfomethyl)piperazino]methanedisulfonate Formula: C6H12N2Na2O12S4 MolecularWeight: 478.40522

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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-].[Na+].[Na+]

Isomeric SMILES

C1CN(CCN1C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C6H14N2O12S4.2Na/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);;/q;2*+1/p-2