bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; cyclopenta-1,3-diene; 2-methanidylpropan-2-ylbenzene

Systemtic Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; cyclopenta-1,3-diene; 2-methanidylpropan-2-ylbenzene Openeye Name: bis[(2,6-diisopropylphenyl)imino]molybdenum; cyclopenta-1,3-diene; (1-methanidyl-1-methyl-ethyl)benzene CAS Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; cyclopenta-1,3-diene; 2-methanidylpropan-2-ylbenzene IUPAC Name: bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum; cyclopenta-1,3-diene; 2-methanidylpropan-2-ylbenzene Traditional Name: bis[(2,6-diisopropylphenyl)imino]molybdenum; cyclopenta-1,3-diene; (1-methanidyl-1-methyl-ethyl)benzene Formula: C39H52MoN2-2 MolecularWeight: 644.78358

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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)([CH2-])C1=CC=CC=C1.[CH-]1C=CC=C1

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)([CH2-])C1=CC=CC=C1.[CH-]1C=CC=C1

InChI

InChI=1S/2C12H17N.C10H13.C5H5.Mo/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;/h2*5-9H,1-4H3;4-8H,1H2,2-3H3;1-5H;/q;;2*-1;