aluminum (4-methylphenyl) octadecyl phosphate

Systemtic Name: aluminum (4-methylphenyl) octadecyl phosphate Openeye Name: aluminum octadecyl p-tolyl phosphate CAS Name: aluminum (4-methylphenyl) octadecyl phosphate IUPAC Name: aluminum (4-methylphenyl) octadecyl phosphate Traditional Name: aluminum p-tolyl stearyl phosphate Formula: C75H132AlO12P3 MolecularWeight: 1345.746201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1=CC=C(C=C1)C.[Al+3]

InChI

InChI=1S/3C25H45O4P.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-30(26,27)29-25-21-19-24(2)20-22-25;/h3*19-22H,3-18,23H2,1-2H3,(H,26,27);/q;;;+3/p-3