bis(oxidanidyl)-oxidanylidene-titanium; octadecanal; octadecan-1-one; propane; prop-2-en-1-one

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; octadecanal; octadecan-1-one; propane; prop-2-en-1-one Openeye Name: dioxido(oxo)titanium; octadecanal; octadecan-1-one; propane; prop-2-en-1-one CAS Name: dioxido(oxo)titanium; octadecanal; 1-octadecanone; propane; 2-propen-1-one IUPAC Name: dioxido(oxo)titanium; octadecanal; octadecan-1-one; propane; prop-2-en-1-one Traditional Name: keto(dioxido)titanium; n-propane; octadecan-1-one; prop-2-en-1-one; stearaldehyde Formula: C63H121O8Ti-5 MolecularWeight: 1054.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCC[C-]=O.C=C[C-]=O.C=C[C-]=O.[O-][Ti](=O)[O-]

Isomeric SMILES

CCC.CCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCC[C-]=O.C=C[C-]=O.C=C[C-]=O.[O-][Ti](=O)[O-]

InChI

InChI=1S/2C18H36O.C18H35O.2C3H3O.C3H8.3O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-2-3-4;1-3-2;;;;/h2*18H,2-17H2,1H3;2-17H2,1H3;2*2H,1H2;3H2,1-2H3;;;;/q;;3*-1;;;2*-1;