3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-oxidanyl-phenyl)peroxy-4-oxidanyl-benzoate; molybdenum

Systemtic Name: 3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-oxidanyl-phenyl)peroxy-4-oxidanyl-benzoate; molybdenum Openeye Name: 3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-hydroxy-phenyl)peroxy-4-hydroxy-benzoate; molybdenum CAS Name: 3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-hydroxyphenyl)dioxy-4-hydroxybenzoate; molybdenum IUPAC Name: 3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-hydroxyphenyl)peroxy-4-hydroxybenzoate; molybdenum Traditional Name: 3,5-ditert-butyl-2-(2,4-ditert-butyl-6-carboxylato-3-hydroxy-phenyl)peroxy-4-hydroxy-benzoate; molybdenum Formula: C90H120MoO24-6 MolecularWeight: 1681.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.[Mo]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.CC(C)(C)C1=C(C(=C(C(=C1)C(=O)[O-])OOC2=C(C(=C(C=C2C(=O)[O-])C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O.[Mo]

InChI

InChI=1S/3C30H42O8.Mo/c3*1-27(2,3)17-13-15(25(33)34)23(19(21(17)31)29(7,8)9)37-38-24-16(26(35)36)14-18(28(4,5)6)22(32)20(24)30(10,11)12;/h3*13-14,31-32H,1-12H3,(H,33,34)(H,35,36);/p-6