2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; titanium

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; titanium Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; titanium CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; titanium IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; titanium Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; 16-methylheptadecanoic acid; titanium Formula: C42H86O7Ti MolecularWeight: 750.99504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.[Ti]

Isomeric SMILES

CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.[Ti]

InChI

InChI=1S/2C18H36O2.C6H14O3.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-2-6(3-7,4-8)5-9;/h2*17H,3-16H2,1-2H3,(H,19,20);7-9H,2-5H2,1H3;