16-methylheptadecanoate; propan-2-ol; titanium(2+)

Systemtic Name: 16-methylheptadecanoate; propan-2-ol; titanium(2+) Openeye Name: 16-methylheptadecanoate; propan-2-ol; titanium(2+) CAS Name: 16-methylheptadecanoate; 2-propanol; titanium(2+) IUPAC Name: 16-methylheptadecanoate; propan-2-ol; titanium(2+) Traditional Name: 16-methylheptadecanoate; propan-2-ol; titanium(2+) Formula: C57H113O7Ti- MolecularWeight: 958.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)O.[Ti+2]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)O.[Ti+2]

InChI

InChI=1S/3C18H36O2.C3H8O.Ti/c3*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3(2)4;/h3*17H,3-16H2,1-2H3,(H,19,20);3-4H,1-2H3;/q;;;;+2/p-3