bis(oxidanidyl)-oxidanylidene-titanium; 16-methylheptadecanal; 16-methylheptadecan-1-one

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; 16-methylheptadecanal; 16-methylheptadecan-1-one Openeye Name: dioxido(oxo)titanium; 16-methylheptadecanal; 16-methylheptadecan-1-one CAS Name: dioxido(oxo)titanium; 16-methylheptadecanal; 16-methyl-1-heptadecanone IUPAC Name: dioxido(oxo)titanium; 16-methylheptadecanal; 16-methylheptadecan-1-one Traditional Name: keto(dioxido)titanium; 16-methylheptadecanal; 16-methylheptadecan-1-one Formula: C72H141O7Ti-5 MolecularWeight: 1166.75274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O.3C18H35O.3O.Ti/c4*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;;;;/h17-18H,3-16H2,1-2H3;3*18H,3-16H2,1-2H3;;;;/q;3*-1;;2*-1;