1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+)

Systemtic Name: 1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+) Openeye Name: 1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+) CAS Name: 1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+) IUPAC Name: 1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+) Traditional Name: 1-adamantyl-(3,5-dimethylphenyl)azanide; molybdenum(3+) Formula: C54H72MoN3 MolecularWeight: 859.10958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.[Mo+3]

Isomeric SMILES

CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.CC1=CC(=CC(=C1)[N-]C23CC4CC(C2)CC(C4)C3)C.[Mo+3]

InChI

InChI=1S/3C18H24N.Mo/c3*1-12-3-13(2)5-17(4-12)19-18-9-14-6-15(10-18)8-16(7-14)11-18;/h3*3-5,14-16H,6-11H2,1-2H3;/q3*-1;+3