calcium 2-methyl-6-[(2-oxidanidyl-5-phenyl-phenyl)methyl]-4-phenyl-phenolate

Systemtic Name: calcium 2-methyl-6-[(2-oxidanidyl-5-phenyl-phenyl)methyl]-4-phenyl-phenolate Openeye Name: calcium 2-methyl-6-[(2-oxido-5-phenyl-phenyl)methyl]-4-phenyl-phenolate CAS Name: calcium 2-methyl-6-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate IUPAC Name: calcium 2-methyl-6-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate Traditional Name: calcium 2-methyl-6-(2-oxido-5-phenyl-benzyl)-4-phenyl-phenolate Formula: C26H20CaO2 MolecularWeight: 404.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CC=CC=C4)[O-])[O-].[Ca+2]

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CC=CC=C4)[O-])[O-].[Ca+2]

InChI

InChI=1S/C26H22O2.Ca/c1-18-14-22(20-10-6-3-7-11-20)16-24(26(18)28)17-23-15-21(12-13-25(23)27)19-8-4-2-5-9-19;/h2-16,27-28H,17H2,1H3;/q;+2/p-2