calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-ethoxy-phosphinate

Systemtic Name: calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-ethoxy-phosphinate Openeye Name: calcium (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-ethoxy-phosphinate CAS Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate IUPAC Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate Traditional Name: calcium (3,5-ditert-butyl-4-hydroxy-benzyl)-ethoxy-phosphinate Formula: C34H56CaO8P2 MolecularWeight: 694.829162

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]

InChI

InChI=1S/2C17H29O4P.Ca/c2*1-8-21-22(19,20)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