calcium [(3,5-ditert-butylphenyl)-oxidanyl-methyl]-dodecoxy-phosphinate

Systemtic Name: calcium [(3,5-ditert-butylphenyl)-oxidanyl-methyl]-dodecoxy-phosphinate Openeye Name: calcium [(3,5-ditert-butylphenyl)-hydroxy-methyl]-dodecoxy-phosphinate CAS Name: calcium [(3,5-ditert-butylphenyl)-hydroxymethyl]-dodecoxyphosphinate IUPAC Name: calcium [(3,5-ditert-butylphenyl)-hydroxymethyl]-dodecoxyphosphinate Traditional Name: calcium [(3,5-ditert-butylphenyl)-hydroxy-methyl]-lauryloxy-phosphinate Formula: C54H96CaO8P2 MolecularWeight: 975.360762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C27H49O4P.Ca/c2*1-8-9-10-11-12-13-14-15-16-17-18-31-32(29,30)25(28)22-19-23(26(2,3)4)21-24(20-22)27(5,6)7;/h2*19-21,25,28H,8-18H2,1-7H3,(H,29,30);/q;;+2/p-2