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

Systemtic Name: zinc 2-methoxy-3,5-bis(1-phenylethyl)benzoate Openeye Name: zinc 2-methoxy-3,5-bis(1-phenylethyl)benzoate CAS Name: zinc 2-methoxy-3,5-bis(1-phenylethyl)benzoate IUPAC Name: zinc 2-methoxy-3,5-bis(1-phenylethyl)benzoate Traditional Name: zinc 2-methoxy-3,5-bis(1-phenylethyl)benzoate Formula: C48H46O6Zn MolecularWeight: 784.28424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H24O3.Zn/c2*1-16(18-10-6-4-7-11-18)20-14-21(17(2)19-12-8-5-9-13-19)23(27-3)22(15-20)24(25)26;/h2*4-17H,1-3H3,(H,25,26);/q;;+2/p-2