iron; [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methyl-4-phenyl-cyclopentane-1-carboxylate

Systemtic Name: iron; [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methyl-4-phenyl-cyclopentane-1-carboxylate Openeye Name: iron; [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-methyl-4-phenyl-cyclopentanecarboxylate CAS Name: iron; 2-methyl-4-phenyl-1-cyclopentanecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: iron; [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-4-phenylcyclopentane-1-carboxylate Traditional Name: iron; 2-methyl-4-phenyl-cyclopentanecarboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C46H58FeO4 MolecularWeight: 730.79532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)[C]2[CH][C]([CH][C]2C)C3=CC=CC=C3)C(C)C.CC1CCC(C(C1)OC(=O)[C]2[CH][C]([CH][C]2C)C3=CC=CC=C3)C(C)C.[Fe]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C]2[CH][C]([CH][C]2C)C3=CC=CC=C3)C(C)C.C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C]2[CH][C]([CH][C]2C)C3=CC=CC=C3)C(C)C.[Fe]

InChI

InChI=1S/2C23H29O2.Fe/c2*1-15(2)20-11-10-16(3)12-22(20)25-23(24)21-14-19(13-17(21)4)18-8-6-5-7-9-18;/h2*5-9,13-16,20,22H,10-12H2,1-4H3;/t2*16-,20+,22-;/m11./s1