zinc 2-oxidanyl-3,5-bis(1-phenylethyl)benzoate

Systemtic Name: zinc 2-oxidanyl-3,5-bis(1-phenylethyl)benzoate Openeye Name: zinc 2-hydroxy-3,5-bis(1-phenylethyl)benzoate CAS Name: zinc 2-hydroxy-3,5-bis(1-phenylethyl)benzoate IUPAC Name: zinc 2-hydroxy-3,5-bis(1-phenylethyl)benzoate Traditional Name: zinc 2-hydroxy-3,5-bis(1-phenylethyl)benzoate Formula: C46H42O6Zn MolecularWeight: 756.23108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C(C)C3=CC=CC=C3.CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C(C)C3=CC=CC=C3.[Zn+2]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C(C)C3=CC=CC=C3.CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)[O-])O)C(C)C3=CC=CC=C3.[Zn+2]

InChI

InChI=1S/2C23H22O3.Zn/c2*1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18;/h2*3-16,24H,1-2H3,(H,25,26);/q;;+2/p-2