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

Systemtic Name: calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-octoxy-phosphinate Openeye Name: calcium (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-octoxy-phosphinate CAS Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-octoxyphosphinate IUPAC Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-octoxyphosphinate Traditional Name: calcium (3,5-ditert-butyl-4-hydroxy-benzyl)-octoxy-phosphinate Formula: C46H80CaO8P2 MolecularWeight: 863.148122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H41O4P.Ca/c2*1-8-9-10-11-12-13-14-27-28(25,26)17-18-15-19(22(2,3)4)21(24)20(16-18)23(5,6)7;/h2*15-16,24H,8-14,17H2,1-7H3,(H,25,26);/q;;+2/p-2