2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]ethanoic acid; cobalt

Systemtic Name: 2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]ethanoic acid; cobalt Openeye Name: 2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]acetic acid; cobalt CAS Name: 2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]acetic acid; cobalt IUPAC Name: 2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]acetic acid; cobalt Traditional Name: 2-[11-(carboxymethyl)-7-methyl-3,7,11-triaza-17-azanidabicyclo[11.3.1]heptadeca-13,15-dien-3-yl]acetic acid; cobalt Formula: C18H29CoN4O4- MolecularWeight: 424.38046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC2C=CC=C([N-]2)CN(CCC1)CC(=O)O)CC(=O)O.[Co]

Isomeric SMILES

CN1CCCN(CC2C=CC=C([N-]2)CN(CCC1)CC(=O)O)CC(=O)O.[Co]

InChI

InChI=1S/C18H29N4O4.Co/c1-20-7-3-9-21(13-17(23)24)11-15-5-2-6-16(19-15)12-22(10-4-8-20)14-18(25)26;/h2,5-6,15H,3-4,7-14H2,1H3,(H,23,24)(H,25,26);/q-1;