octadecan-1-one; oxidanidyl(oxidanylidene)titanium; propane; hydroxide

Systemtic Name: octadecan-1-one; oxidanidyl(oxidanylidene)titanium; propane; hydroxide Openeye Name: octadecan-1-one; oxido(oxo)titanium; propane; hydroxide CAS Name: 1-octadecanone; oxido(oxo)titanium; propane; hydroxide IUPAC Name: octadecan-1-one; oxido(oxo)titanium; propane; hydroxide Traditional Name: keto(oxido)titanium; octadecan-1-one; propane; hydroxide Formula: C57H113O6Ti-6 MolecularWeight: 942.37052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.C[CH-]C.[OH-].[O-][Ti]=O

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.C[CH-]C.[OH-].[O-][Ti]=O

InChI

InChI=1S/3C18H35O.C3H7.H2O.2O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-2;;;;/h3*2-17H2,1H3;3H,1-2H3;1H2;;;/q4*-1;;;-1;/p-1