gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: gadolinium; 2-[4,7,10-tris(carboxymethyl)-3,9-dicyclohexyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C28H48GdN4O8 MolecularWeight: 725.95272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CN(CCN(C(CN(CCN2CC(=O)O)CC(=O)O)C3CCCCC3)CC(=O)O)CC(=O)O.[Gd]

Isomeric SMILES

C1CCC(CC1)C2CN(CCN(C(CN(CCN2CC(=O)O)CC(=O)O)C3CCCCC3)CC(=O)O)CC(=O)O.[Gd]

InChI

InChI=1S/C28H48N4O8.Gd/c33-25(34)17-29-12-14-32(20-28(39)40)24(22-9-5-2-6-10-22)16-30(18-26(35)36)11-13-31(19-27(37)38)23(15-29)21-7-3-1-4-8-21;/h21-24H,1-20H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40);