2,4-bis(2-phenylpropan-2-yl)phenolate; titanium(4+)

Systemtic Name: 2,4-bis(2-phenylpropan-2-yl)phenolate; titanium(4+) Openeye Name: 2,4-bis(1-methyl-1-phenyl-ethyl)phenolate; titanium(4+) CAS Name: 2,4-bis(2-phenylpropan-2-yl)phenolate; titanium(4+) IUPAC Name: 2,4-bis(2-phenylpropan-2-yl)phenolate; titanium(4+) Traditional Name: 2,4-dicumylphenolate; titanium(4+) Formula: C96H100O4Ti MolecularWeight: 1365.6858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.[Ti+4]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)[O-])C(C)(C)C3=CC=CC=C3.[Ti+4]

InChI

InChI=1S/4C24H26O.Ti/c4*1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19;/h4*5-17,25H,1-4H3;/q;;;;+4/p-4