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

Systemtic Name: 2-[4-(carboxymethyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-(carboxymethyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-(carboxymethyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-(carboxymethyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-(carboxymethyl)-7,10-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C14H30N4O10P2 MolecularWeight: 476.356322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)O)CP(=O)(O)O)CP(=O)(O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)O)CP(=O)(O)O)CP(=O)(O)O)CC(=O)O

InChI

InChI=1S/C14H30N4O10P2/c19-13(20)9-15-1-2-16(10-14(21)22)4-6-18(12-30(26,27)28)8-7-17(5-3-15)11-29(23,24)25/h1-12H2,(H,19,20)(H,21,22)(H2,23,24,25)(H2,26,27,28)