4-(1,4,7,10-tetrazacyclododec-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(1,4,7,10-tetrazacyclododec-1-yl)butane-1-sulfonic acid Openeye Name: 4-(1,4,7,10-tetrazacyclododec-1-yl)butane-1-sulfonic acid CAS Name: 4-(1,4,7,10-tetrazacyclododec-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(1,4,7,10-tetrazacyclododec-1-yl)butane-1-sulfonic acid Traditional Name: 4-(1,4,7,10-tetrazacyclododec-1-yl)butane-1-sulfonic acid Formula: C12H28N4O3S MolecularWeight: 308.44072

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CCCCS(=O)(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)CCCCS(=O)(=O)O

InChI

InChI=1S/C12H28N4O3S/c17-20(18,19)12-2-1-9-16-10-7-14-5-3-13-4-6-15-8-11-16/h13-15H,1-12H2,(H,17,18,19)