[5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid

Systemtic Name: [5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid Openeye Name: [5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid CAS Name: [5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid IUPAC Name: [5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid Traditional Name: [5-(disulfomethyl)-1,5,9-triazacyclododec-1-yl]methanedisulfonic acid Formula: C11H25N3O12S4 MolecularWeight: 519.5891

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCN(C1)C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CNCCCN(CCCN(C1)C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H25N3O12S4/c15-27(16,17)10(28(18,19)20)13-6-1-4-12-5-2-7-14(9-3-8-13)11(29(21,22)23)30(24,25)26/h10-12H,1-9H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)