zinc 3-cyclohexyl-2-oxidanyl-5-(1-phenylethyl)benzoate

Systemtic Name: zinc 3-cyclohexyl-2-oxidanyl-5-(1-phenylethyl)benzoate Openeye Name: zinc 3-cyclohexyl-2-hydroxy-5-(1-phenylethyl)benzoate CAS Name: zinc 3-cyclohexyl-2-hydroxy-5-(1-phenylethyl)benzoate IUPAC Name: zinc 3-cyclohexyl-2-hydroxy-5-(1-phenylethyl)benzoate Traditional Name: zinc 3-cyclohexyl-2-hydroxy-5-(1-phenylethyl)benzoate Formula: C42H46O6Zn MolecularWeight: 712.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C3CCCCC3.CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C3CCCCC3.[Zn+2]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C3CCCCC3.CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C3CCCCC3.[Zn+2]

InChI

InChI=1S/2C21H24O3.Zn/c2*1-14(15-8-4-2-5-9-15)17-12-18(16-10-6-3-7-11-16)20(22)19(13-17)21(23)24;/h2*2,4-5,8-9,12-14,16,22H,3,6-7,10-11H2,1H3,(H,23,24);/q;;+2/p-2