2-[bis(3,5-ditert-butyl-2-oxidanidyl-phenyl)methyl]-4,6-ditert-butyl-phenolate; oxygen(2-); vanadium

Systemtic Name: 2-[bis(3,5-ditert-butyl-2-oxidanidyl-phenyl)methyl]-4,6-ditert-butyl-phenolate; oxygen(2-); vanadium Openeye Name: 2-[bis(3,5-ditert-butyl-2-oxido-phenyl)methyl]-4,6-ditert-butyl-phenolate; oxygen(2-); vanadium CAS Name: 2-[bis(3,5-ditert-butyl-2-oxidophenyl)methyl]-4,6-ditert-butylphenolate; oxygen(2-); vanadium IUPAC Name: 2-[bis(3,5-ditert-butyl-2-oxidophenyl)methyl]-4,6-ditert-butylphenolate; oxygen(2-); vanadium Traditional Name: 2-[bis(3,5-ditert-butyl-2-oxido-phenyl)methyl]-4,6-ditert-butyl-phenolate; oxygen(2-); vanadium Formula: C86H122O8V2-10 MolecularWeight: 1385.76708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-])C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-])C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[O-2].[O-2].[V].[V]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-])C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-])C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[O-2].[O-2].[V].[V]

InChI

InChI=1S/2C43H64O3.2O.2V/c2*1-38(2,3)25-19-28(35(44)31(22-25)41(10,11)12)34(29-20-26(39(4,5)6)23-32(36(29)45)42(13,14)15)30-21-27(40(7,8)9)24-33(37(30)46)43(16,17)18;;;;/h2*19-24,34,44-46H,1-18H3;;;;/q;;2*-2;;/p-6