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

Systemtic Name: calcium (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-octadecoxy-phosphinate Openeye Name: calcium (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-octadecoxy-phosphinate CAS Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-octadecoxyphosphinate IUPAC Name: calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-octadecoxyphosphinate Traditional Name: calcium (3,5-ditert-butyl-4-hydroxy-benzyl)-stearyloxy-phosphinate Formula: C66H120CaO8P2 MolecularWeight: 1143.679722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C33H61O4P.Ca/c2*1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37-38(35,36)27-28-25-29(32(2,3)4)31(34)30(26-28)33(5,6)7;/h2*25-26,34H,8-24,27H2,1-7H3,(H,35,36);/q;;+2/p-2