2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-octyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C22H42N4O6 MolecularWeight: 458.59208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H42N4O6/c1-2-3-4-5-6-7-8-23-9-11-24(17-20(27)28)13-15-26(19-22(31)32)16-14-25(12-10-23)18-21(29)30/h2-19H2,1H3,(H,27,28)(H,29,30)(H,31,32)