[[3-[bis(disulfomethyl)amino]-3-oxidanyl-propyl]-(disulfomethyl)amino]methanedisulfonic acid

Systemtic Name: [[3-[bis(disulfomethyl)amino]-3-oxidanyl-propyl]-(disulfomethyl)amino]methanedisulfonic acid Openeye Name: [[3-[bis(disulfomethyl)amino]-3-hydroxy-propyl]-(disulfomethyl)amino]methanedisulfonic acid CAS Name: [[3-[bis(disulfomethyl)amino]-3-hydroxypropyl]-(disulfomethyl)amino]methanedisulfonic acid IUPAC Name: [[3-[bis(disulfomethyl)amino]-3-hydroxypropyl]-(disulfomethyl)amino]methanedisulfonic acid Traditional Name: [[3-[bis(disulfomethyl)amino]-3-hydroxy-propyl]-(disulfomethyl)amino]methanedisulfonic acid Formula: C7H18N2O25S8 MolecularWeight: 786.73622

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O)C(N(C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C(CN(C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O)C(N(C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C7H18N2O25S8/c10-3(9(6(39(23,24)25)40(26,27)28)7(41(29,30)31)42(32,33)34)1-2-8(4(35(11,12)13)36(14,15)16)5(37(17,18)19)38(20,21)22/h3-7,10H,1-2H2,(H,11,12,13)(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)