[4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid

Systemtic Name: [4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid Openeye Name: [4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid CAS Name: [4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid IUPAC Name: [4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid Traditional Name: [4-(disulfomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanedisulfonic acid Formula: C10H24N4O12S4 MolecularWeight: 520.57716

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN(CCN1)C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CNCCN(CCN(CCN1)C(S(=O)(=O)O)S(=O)(=O)O)C(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H24N4O12S4/c15-27(16,17)9(28(18,19)20)13-5-3-11-1-2-12-4-6-14(8-7-13)10(29(21,22)23)30(24,25)26/h9-12H,1-8H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)