calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide

Systemtic Name: calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide Openeye Name: calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide CAS Name: calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide IUPAC Name: calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide Traditional Name: calcium; (dihexylamino)methanedithiolate; 1,10-phenanthroline-1,10-diide Formula: C50H70CaN6S4-6 MolecularWeight: 923.469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C([S-])[S-].CCCCCCN(CCCCCC)C([S-])[S-].C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Ca+2]

Isomeric SMILES

CCCCCCN(CCCCCC)C([S-])[S-].CCCCCCN(CCCCCC)C([S-])[S-].C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Ca+2]

InChI

InChI=1S/2C13H29NS2.2C12H8N2.Ca/c2*1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*13,15-16H,3-12H2,1-2H3;2*1-8H;/q;;2*-2;+2/p-4