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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-decyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-decyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-decyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-decyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-decyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C24H46N4O6 MolecularWeight: 486.64524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C24H46N4O6/c1-2-3-4-5-6-7-8-9-10-25-11-13-26(19-22(29)30)15-17-28(21-24(33)34)18-16-27(14-12-25)20-23(31)32/h2-21H2,1H3,(H,29,30)(H,31,32)(H,33,34)