bis(oxidanylidene)technetium; 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: bis(oxidanylidene)technetium; 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane Openeye Name: 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane; dioxotechnetium CAS Name: 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane; dioxotechnetium IUPAC Name: 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane; dioxotechnetium Traditional Name: diketotechnetium; 5,14-dimethyl-7,12-diphenyl-1,4,8,11-tetrazacyclotetradecane Formula: C24H36N4O2Tc MolecularWeight: 510.475456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NCCNC(CC(NCCN1)C)C2=CC=CC=C2)C3=CC=CC=C3.O=[Tc]=O

Isomeric SMILES

CC1CC(NCCNC(CC(NCCN1)C)C2=CC=CC=C2)C3=CC=CC=C3.O=[Tc]=O

InChI

InChI=1S/C24H36N4.2O.Tc/c1-19-17-23(21-9-5-3-6-10-21)27-15-16-28-24(22-11-7-4-8-12-22)18-20(2)26-14-13-25-19;;;/h3-12,19-20,23-28H,13-18H2,1-2H3;;;