carbanide; 1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]indene; zirconium(4+)

Systemtic Name: carbanide; 1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]indene; zirconium(4+) Openeye Name: carbanide; 1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]indene; zirconium(4+) CAS Name: carbanide; 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene; zirconium(4+) IUPAC Name: carbanide; 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene; zirconium(4+) Traditional Name: carbanide; 1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]indene; zirconium(4+) Formula: C40H56Zr+2 MolecularWeight: 628.09664

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].C[C@@H]1CC[C@H]([C@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.C[C@@H]1CC[C@H]([C@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.[Zr+4]

InChI

InChI=1S/2C19H25.2CH3.Zr/c2*1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18;;;/h2*4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3;2*1H3;/q;;2*-1;+4/t2*14-,16+,19+;;;/m11.../s1