bis(oxidanidyl)-oxidanylidene-titanium; 16-methylheptadecan-1-one; propane; prop-1-ene

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; 16-methylheptadecan-1-one; propane; prop-1-ene Openeye Name: dioxido(oxo)titanium; 16-methylheptadecan-1-one; propane; prop-1-ene CAS Name: dioxido(oxo)titanium; 16-methyl-1-heptadecanone; propane; 1-propene IUPAC Name: dioxido(oxo)titanium; 16-methylheptadecan-1-one; propane; prop-1-ene Traditional Name: keto(dioxido)titanium; 16-methylheptadecan-1-one; n-propane; prop-1-ene Formula: C27H53O4Ti-5 MolecularWeight: 489.57432

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CC(C)CCCCCCCCCCCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.[O-][Ti](=O)[O-]

Isomeric SMILES

CCC.CC(C)CCCCCCCCCCCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.[O-][Ti](=O)[O-]

InChI

InChI=1S/C18H35O.C3H8.2C3H5.3O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;3*1-3-2;;;;/h18H,3-16H2,1-2H3;3H2,1-2H3;2*3H,1-2H2;;;;/q-1;;2*-1;;2*-1;