4-[2-oxidanyl-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid

Systemtic Name: 4-[2-oxidanyl-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid Openeye Name: 4-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid CAS Name: 4-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid IUPAC Name: 4-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid Traditional Name: 4-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propoxy]benzoic acid Formula: C24H36N4O10 MolecularWeight: 540.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)C(=O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)C(=O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C24H36N4O10/c29-19(17-38-20-3-1-18(2-4-20)24(36)37)13-25-5-7-26(14-21(30)31)9-11-28(16-23(34)35)12-10-27(8-6-25)15-22(32)33/h1-4,19,29H,5-17H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)