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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-dodecyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-dodecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-dodecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-dodecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-lauryl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C26H50N4O6 MolecularWeight: 514.6984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C26H50N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-27-13-15-28(21-24(31)32)17-19-30(23-26(35)36)20-18-29(16-14-27)22-25(33)34/h2-23H2,1H3,(H,31,32)(H,33,34)(H,35,36)