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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-hexadecyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-hexadecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-hexadecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-hexadecyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-cetyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C30H58N4O6 MolecularWeight: 570.80472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C30H58N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31-17-19-32(25-28(35)36)21-23-34(27-30(39)40)24-22-33(20-18-31)26-29(37)38/h2-27H2,1H3,(H,35,36)(H,37,38)(H,39,40)