benzene-1,2-dithiolate; 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methyl-ethanamine; phenylazanide; technetium-99

Systemtic Name: benzene-1,2-dithiolate; 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methyl-ethanamine; phenylazanide; technetium-99 Openeye Name: benzene-1,2-dithiolate; 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methyl-ethanamine; phenylazanide; technetium-99 CAS Name: benzene-1,2-dithiolate; 2-diphenylphosphino-N-(2-diphenylphosphinoethyl)-N-methylethanamine; phenylazanide; technetium-99 IUPAC Name: benzene-1,2-dithiolate; 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)-N-methylethanamine; phenylazanide; technetium-99 Traditional Name: benzene-1,2-dithiolate; bis(2-diphenylphosphinoethyl)-methyl-amine; phenylazanide; technetium-99 Formula: C41H41N2P2S2Tc-3 MolecularWeight: 786.761417

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCP(C1=CC=CC=C1)C2=CC=CC=C2)CCP(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[NH-].C1=CC=C(C(=C1)[S-])[S-].[Tc]

Isomeric SMILES

CN(CCP(C1=CC=CC=C1)C2=CC=CC=C2)CCP(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[NH-].C1=CC=C(C(=C1)[S-])[S-].[99Tc]

InChI

InChI=1S/C29H31NP2.C6H6N.C6H6S2.Tc/c1-30(22-24-31(26-14-6-2-7-15-26)27-16-8-3-9-17-27)23-25-32(28-18-10-4-11-19-28)29-20-12-5-13-21-29;7-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8;/h2-21H,22-25H2,1H3;1-5,7H;1-4,7-8H;/q;-1;;/p-2/i;;;1+1