1,8-bis(cyclopenta-2,4-dien-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane; cobalt(2+); ethanenitrile; iron

Systemtic Name: 1,8-bis(cyclopenta-2,4-dien-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane; cobalt(2+); ethanenitrile; iron Openeye Name: cobaltous; acetonitrile; 1,8-bis(cyclopenta-2,4-dien-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane; iron CAS Name: acetonitrile; 1,8-bis(1-cyclopenta-2,4-dienylmethyl)-1,4,8,11-tetrazacyclotetradecane; cobalt(2+); iron IUPAC Name: acetonitrile; 1,8-bis(cyclopenta-2,4-dien-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane; cobalt(2+); iron Traditional Name: cobaltous; acetonitrile; 1,8-bis(cyclopenta-2,4-dien-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane; iron Formula: C24H37CoFeN5 MolecularWeight: 510.36228

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1CNCCN(CCCNCCN(C1)C[C-]2C=CC=C2)C[C-]3C=CC=C3.[Fe].[Co+2]

Isomeric SMILES

CC#N.C1CNCCN(CCCNCCN(C1)C[C-]2C=CC=C2)C[C-]3C=CC=C3.[Fe].[Co+2]

InChI

InChI=1S/C22H34N4.C2H3N.Co.Fe/c1-2-8-21(7-1)19-25-15-5-11-24-14-18-26(16-6-12-23-13-17-25)20-22-9-3-4-10-22;1-2-3;;/h1-4,7-10,23-24H,5-6,11-20H2;1H3;;/q-2;;+2;