16-methylheptadecanoate; propane; titanium(4+)

Systemtic Name: 16-methylheptadecanoate; propane; titanium(4+) Openeye Name: 16-methylheptadecanoate; propane; titanium(4+) CAS Name: 16-methylheptadecanoate; propane; titanium(4+) IUPAC Name: 16-methylheptadecanoate; propane; titanium(4+) Traditional Name: 16-methylheptadecanoate; propane; titanium(4+) Formula: C57H112O6Ti MolecularWeight: 941.36258

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].[Ti+4]

Isomeric SMILES

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].[Ti+4]

InChI

InChI=1S/3C18H36O2.C3H7.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;/h3*17H,3-16H2,1-2H3,(H,19,20);3H,1-2H3;/q;;;-1;+4/p-3