azanidylmethanethioate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate

Systemtic Name: azanidylmethanethioate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate Openeye Name: azanidylmethanethioate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate CAS Name: azanidylmethanethioate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate IUPAC Name: azanidylmethanethioate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate Traditional Name: amidylthioformate; molybdenum; molybdenum(2+); N-[(E)-octadec-9-enyl]carbamodithioate Formula: C115H217Mo2N7OS13-6 MolecularWeight: 2322.72478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=S)[S-].CCCCCCCCC=CCCCCCCCCNC(=S)[S-].CCCCCCCCC=CCCCCCCCCNC(=S)[S-].CCCCCCCCC=CCCCCCCCCNC(=S)[S-].CCCCCCCCC=CCCCCCCCCNC(=S)[S-].CCCCCCCCC=CCCCCCCCCNC(=S)[S-].C(=S)([NH-])[O-].[Mo].[Mo+2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].CCCCCCCC/C=C/CCCCCCCCNC(=S)[S-].C(=S)([O-])[NH-].[Mo].[Mo+2]

InChI

InChI=1S/6C19H37NS2.CH3NOS.2Mo/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)22;2-1(3)4;;/h6*9-10H,2-8,11-18H2,1H3,(H2,20,21,22);(H3,2,3,4);;/q;;;;;;;;+2/p-8/b6*10-9+;;;