3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; titanium(4+)

Systemtic Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; titanium(4+) Openeye Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate; titanium(4+) CAS Name: 3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoate; titanium(4+) IUPAC Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate; titanium(4+) Traditional Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate; titanium(4+) Formula: C120H164O20Ti MolecularWeight: 1974.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.[Ti+4]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.[Ti+4]

InChI

InChI=1S/4C30H42O5.Ti/c4*1-27(2,3)19-15-18(16-20(23(19)31)28(4,5)6)26(34)35-24-21(29(7,8)9)13-17(25(32)33)14-22(24)30(10,11)12;/h4*13-16,31H,1-12H3,(H,32,33);/q;;;;+4/p-4