calcium (4-tert-butylphenoxy)-dodecyl-phosphinate

Systemtic Name: calcium (4-tert-butylphenoxy)-dodecyl-phosphinate Openeye Name: calcium (4-tert-butylphenoxy)-dodecyl-phosphinate CAS Name: calcium (4-tert-butylphenoxy)-dodecylphosphinate IUPAC Name: calcium (4-tert-butylphenoxy)-dodecylphosphinate Traditional Name: calcium (4-tert-butylphenoxy)-lauryl-phosphinate Formula: C44H76CaO6P2 MolecularWeight: 803.096162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCP(=O)([O-])OC1=CC=C(C=C1)C(C)(C)C.CCCCCCCCCCCCP(=O)([O-])OC1=CC=C(C=C1)C(C)(C)C.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCP(=O)([O-])OC1=CC=C(C=C1)C(C)(C)C.CCCCCCCCCCCCP(=O)([O-])OC1=CC=C(C=C1)C(C)(C)C.[Ca+2]

InChI

InChI=1S/2C22H39O3P.Ca/c2*1-5-6-7-8-9-10-11-12-13-14-19-26(23,24)25-21-17-15-20(16-18-21)22(2,3)4;/h2*15-18H,5-14,19H2,1-4H3,(H,23,24);/q;;+2/p-2