[4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate

Systemtic Name: [4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate Openeye Name: [4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate CAS Name: [4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate IUPAC Name: [4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate Traditional Name: [4-(sulfonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methanesulfonate Formula: C10H22N4O6S2-2 MolecularWeight: 358.43488

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN(CCN1)CS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C1CNCCN(CCN(CCN1)CS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C10H24N4O6S2/c15-21(16,17)9-13-5-3-11-1-2-12-4-6-14(8-7-13)10-22(18,19)20/h11-12H,1-10H2,(H,15,16,17)(H,18,19,20)/p-2