calcium 2-[[2-oxidanidyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenolate

Systemtic Name: calcium 2-[[2-oxidanidyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenolate Openeye Name: calcium 2-[[2-oxido-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenolate CAS Name: calcium 2-[[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenolate IUPAC Name: calcium 2-[[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenolate Traditional Name: calcium 2-[2-oxido-5-(1,1,3,3-tetramethylbutyl)benzyl]-4-(1,1,3,3-tetramethylbutyl)phenolate Formula: C29H42CaO2 MolecularWeight: 462.72058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])CC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ca+2]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])CC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ca+2]

InChI

InChI=1S/C29H44O2.Ca/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6;/h11-14,16-17,30-31H,15,18-19H2,1-10H3;/q;+2/p-2