bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; 2-methanidylpropan-2-ylbenzene; hydrate

Systemtic Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; 2-methanidylpropan-2-ylbenzene; hydrate Openeye Name: bis[(2,6-diisopropylphenyl)imino]molybdenum; (1-methanidyl-1-methyl-ethyl)benzene; hydrate CAS Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; 2-methanidylpropan-2-ylbenzene; hydrate IUPAC Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; 2-methanidylpropan-2-ylbenzene; hydrate Traditional Name: bis[(2,6-diisopropylphenyl)imino]molybdenum; (1-methanidyl-1-methyl-ethyl)benzene; hydrate Formula: C68H96Mo2N4O-2 MolecularWeight: 1177.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=NC2=C(C=CC=C2C(C)C)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=NC2=C(C=CC=C2C(C)C)C(C)C.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=NC2=C(C=CC=C2C(C)C)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=NC2=C(C=CC=C2C(C)C)C(C)C.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.O

InChI

InChI=1S/4C12H17N.2C10H13.2Mo.H2O/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;;;/h4*5-9H,1-4H3;2*4-8H,1H2,2-3H3;;;1H2/q;;;;2*-1;;;