calcium (4-tert-butylphenyl) octadecyl phosphate

Systemtic Name: calcium (4-tert-butylphenyl) octadecyl phosphate Openeye Name: calcium (4-tert-butylphenyl) octadecyl phosphate CAS Name: calcium (4-tert-butylphenyl) octadecyl phosphate IUPAC Name: calcium (4-tert-butylphenyl) octadecyl phosphate Traditional Name: calcium (4-tert-butylphenyl) stearyl phosphate Formula: C56H100CaO8P2 MolecularWeight: 1003.413922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C28H51O4P.Ca/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-33(29,30)32-27-23-21-26(22-24-27)28(2,3)4;/h2*21-24H,5-20,25H2,1-4H3,(H,29,30);/q;;+2/p-2