16-methylheptadecan-1-one; propan-2-ol; titanium(3+)

Systemtic Name: 16-methylheptadecan-1-one; propan-2-ol; titanium(3+) Openeye Name: 16-methylheptadecan-1-one; propan-2-ol; titanium(3+) CAS Name: 16-methyl-1-heptadecanone; 2-propanol; titanium(3+) IUPAC Name: 16-methylheptadecan-1-one; propan-2-ol; titanium(3+) Traditional Name: 16-methylheptadecan-1-one; propan-2-ol; titanium(3+) Formula: C57H113O4Ti MolecularWeight: 910.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)O.[Ti+3]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)O.[Ti+3]

InChI

InChI=1S/3C18H35O.C3H8O.Ti/c3*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;1-3(2)4;/h3*18H,3-16H2,1-2H3;3-4H,1-2H3;/q3*-1;;+3