3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol; nickel(2+)

Systemtic Name: 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol; nickel(2+) Openeye Name: dinickelous 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol CAS Name: 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol; nickel(2+) IUPAC Name: 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol; nickel(2+) Traditional Name: dinickelous 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol Formula: C38H62Ni2O8P2 MolecularWeight: 826.228402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ni+2].[Ni+2]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ni+2].[Ni+2]

InChI

InChI=1S/2C19H33O4P.2Ni/c2*1-8-9-10-14-13(12-24(21,22)23)11-15(18(2,3)4)17(20)16(14)19(5,6)7;;/h2*11,20H,8-10,12H2,1-7H3,(H2,21,22,23);;/q;;2*+2/p-4