calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methoxy-ethyl-phosphinate

Systemtic Name: calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methoxy-ethyl-phosphinate Openeye Name: calcium (3,5-ditert-butyl-4-hydroxy-phenyl)methoxy-ethyl-phosphinate CAS Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethylphosphinate IUPAC Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethylphosphinate Traditional Name: calcium (3,5-ditert-butyl-4-hydroxy-benzyl)oxy-ethyl-phosphinate Formula: C34H56CaO8P2 MolecularWeight: 694.829162

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)([O-])OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.CCP(=O)([O-])OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Ca+2]

Isomeric SMILES

CCP(=O)([O-])OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.CCP(=O)([O-])OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Ca+2]

InChI

InChI=1S/2C17H29O4P.Ca/c2*1-8-22(19,20)21-11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2