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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-hexyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-hexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-hexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-hexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-hexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C20H38N4O6 MolecularWeight: 430.53892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H38N4O6/c1-2-3-4-5-6-21-7-9-22(15-18(25)26)11-13-24(17-20(29)30)14-12-23(10-8-21)16-19(27)28/h2-17H2,1H3,(H,25,26)(H,27,28)(H,29,30)