bis(oxidanidyl)-bis(oxidanylidene)molybdenum; 1-icosyl-4-nonan-5-yl-pyridin-1-ium

Systemtic Name: bis(oxidanidyl)-bis(oxidanylidene)molybdenum; 1-icosyl-4-nonan-5-yl-pyridin-1-ium Openeye Name: 4-(1-butylpentyl)-1-icosyl-pyridin-1-ium; dioxido(dioxo)molybdenum CAS Name: dioxido(dioxo)molybdenum; 1-eicosyl-4-nonan-5-ylpyridin-1-ium IUPAC Name: dioxido(dioxo)molybdenum; 1-icosyl-4-nonan-5-ylpyridin-1-ium Traditional Name: 1-arachyl-4-(1-butylpentyl)pyridin-1-ium; diketo(dioxido)molybdenum Formula: C136H256Mo8N4O32-12 MolecularWeight: 3227.01544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.CCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CCCC)CCCC.[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-]

InChI

InChI=1S/4C34H64N.8Mo.32O/c4*1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-35-31-28-34(29-32-35)33(26-8-5-2)27-9-6-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*28-29,31-33H,4-27,30H2,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q4*+1;;;;;;;;;;;;;;;;;;;;;;;;;16*-1