calcium [3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propyl] phosphate

Systemtic Name: calcium [3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propyl] phosphate Openeye Name: calcium [3-(4-chlorophenyl)-2-(4-isopropylphenoxy)-2-methyl-propyl] phosphate CAS Name: calcium [3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propyl] phosphate IUPAC Name: calcium [3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propyl] phosphate Traditional Name: calcium [3-(4-chlorophenyl)-2-(4-isopropylphenoxy)-2-methyl-propyl] phosphate Formula: C19H22CaClO5P MolecularWeight: 436.879741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClO5P.Ca/c1-14(2)16-6-10-18(11-7-16)25-19(3,13-24-26(21,22)23)12-15-4-8-17(20)9-5-15;/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23);/q;+2/p-2