calcium bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate

Systemtic Name: calcium bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate Openeye Name: calcium bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate CAS Name: calcium bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate IUPAC Name: calcium bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate Traditional Name: calcium bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate Formula: C56H84CaO8P2 MolecularWeight: 987.286882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C.CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C.[Ca+2]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C.CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C.[Ca+2]

InChI

InChI=1S/2C28H43O4P.Ca/c2*1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)31-33(29,30)32-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6;/h2*11-18H,19-20H2,1-10H3,(H,29,30);/q;;+2/p-2