zinc 3-oxidanyl-7-(2-phenylpropan-2-yl)naphthalene-2-carboxylate

Systemtic Name: zinc 3-oxidanyl-7-(2-phenylpropan-2-yl)naphthalene-2-carboxylate Openeye Name: zinc 3-hydroxy-7-(1-methyl-1-phenyl-ethyl)naphthalene-2-carboxylate CAS Name: zinc 3-hydroxy-7-(2-phenylpropan-2-yl)-2-naphthalenecarboxylate IUPAC Name: zinc 3-hydroxy-7-(2-phenylpropan-2-yl)naphthalene-2-carboxylate Traditional Name: zinc 7-cumyl-3-hydroxy-2-naphthoate Formula: C40H34O6Zn MolecularWeight: 676.10336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C20H18O3.Zn/c2*1-20(2,15-6-4-3-5-7-15)16-9-8-13-12-18(21)17(19(22)23)11-14(13)10-16;/h2*3-12,21H,1-2H3,(H,22,23);/q;;+2/p-2