bis(6-methylheptyl) hydrogen phosphate; bis(oxidanyl)-oxidanylidene-titanium; propane

Systemtic Name: bis(6-methylheptyl) hydrogen phosphate; bis(oxidanyl)-oxidanylidene-titanium; propane Openeye Name: bis(6-methylheptyl) hydrogen phosphate; dihydroxy(oxo)titanium; propane CAS Name: bis(6-methylheptyl) hydrogen phosphate; dihydroxy(oxo)titanium; propane IUPAC Name: bis(6-methylheptyl) hydrogen phosphate; dihydroxy(oxo)titanium; propane Traditional Name: bis(6-methylheptyl) hydrogen phosphate; dihydroxy(keto)titanium; propane Formula: C51H114O15P3Ti- MolecularWeight: 1108.230143

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.O[Ti](=O)O

Isomeric SMILES

C[CH-]C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C.O[Ti](=O)O

InChI

InChI=1S/3C16H35O4P.C3H7.2H2O.O.Ti/c3*1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4;1-3-2;;;;/h3*15-16H,5-14H2,1-4H3,(H,17,18);3H,1-2H3;2*1H2;;/q;;;-1;;;;+2/p-2