zinc 2-[(1,1,3,3-tetramethyl-2H-inden-5-yl)carbonyl]benzoate

Systemtic Name: zinc 2-[(1,1,3,3-tetramethyl-2H-inden-5-yl)carbonyl]benzoate Openeye Name: zinc 2-(1,1,3,3-tetramethylindane-5-carbonyl)benzoate CAS Name: zinc 2-[oxo-(1,1,3,3-tetramethyl-2H-inden-5-yl)methyl]benzoate IUPAC Name: zinc 2-(1,1,3,3-tetramethyl-2H-indene-5-carbonyl)benzoate Traditional Name: zinc 2-(1,1,3,3-tetramethylindane-5-carbonyl)benzoate Formula: C42H42O6Zn MolecularWeight: 708.18828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C)C.CC1(CC(C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C)C.[Zn+2]

Isomeric SMILES

CC1(CC(C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C)C.CC1(CC(C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C)C.[Zn+2]

InChI

InChI=1S/2C21H22O3.Zn/c2*1-20(2)12-21(3,4)17-11-13(9-10-16(17)20)18(22)14-7-5-6-8-15(14)19(23)24;/h2*5-11H,12H2,1-4H3,(H,23,24);/q;;+2/p-2