2-azanylethyl-bis(2-chloroethyl)azanium; cobalt(2+); N,N-diethylcarbamodithioate; tetraphenylboranuide

Systemtic Name: 2-azanylethyl-bis(2-chloroethyl)azanium; cobalt(2+); N,N-diethylcarbamodithioate; tetraphenylboranuide Openeye Name: cobaltous; 2-aminoethyl-bis(2-chloroethyl)ammonium; N,N-diethylcarbamodithioate; tetraphenylboranuide CAS Name: 2-aminoethyl-bis(2-chloroethyl)ammonium; cobalt(2+); N,N-diethylcarbamodithioate; tetraphenylboranuide IUPAC Name: 2-aminoethyl-bis(2-chloroethyl)azanium; cobalt(2+); N,N-diethylcarbamodithioate; tetraphenylboranuide Traditional Name: cobaltous; 2-aminoethyl-bis(2-chloroethyl)ammonium; N,N-diethylcarbamodithioate; tetraphenylboranuide Formula: C40H55BCl2CoN4S4 MolecularWeight: 860.8017

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].C(C[NH+](CCCl)CCCl)N.[Co+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].C(C[NH+](CCCl)CCCl)N.[Co+2]

InChI

InChI=1S/C24H20B.C6H14Cl2N2.2C5H11NS2.Co/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-1-4-10(5-2-8)6-3-9;2*1-3-6(4-2)5(7)8;/h1-20H;1-6,9H2;2*3-4H2,1-2H3,(H,7,8);/q-1;;;;+2/p-1