3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propane-1-sulfonic acid Openeye Name: 3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propane-1-sulfonic acid CAS Name: 3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propane-1-sulfonic acid Traditional Name: 3-[7-(3-sulfopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propane-1-sulfonic acid Formula: C14H32N4O6S2 MolecularWeight: 416.55708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNCCN(CCN1)CCCS(=O)(=O)O)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CCNCCN(CCN1)CCCS(=O)(=O)O)CCCS(=O)(=O)O

InChI

InChI=1S/C14H32N4O6S2/c19-25(20,21)13-1-7-17-9-3-15-5-11-18(12-6-16-4-10-17)8-2-14-26(22,23)24/h15-16H,1-14H2,(H,19,20,21)(H,22,23,24)