19-(hydroxymethyl)-19-oxidanyl-heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate

Systemtic Name: 19-(hydroxymethyl)-19-oxidanyl-heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate Openeye Name: 19-hydroxy-19-(hydroxymethyl)heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate CAS Name: 19-hydroxy-19-(hydroxymethyl)heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate IUPAC Name: 19-hydroxy-19-(hydroxymethyl)heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate Traditional Name: 19-hydroxy-19-methylol-heptatriacontane-18,20-dione; titanium; trihydroxide; trihydrate Formula: C38H83O10Ti2-3 MolecularWeight: 795.79362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CO)(C(=O)CCCCCCCCCCCCCCCCC)O.O.O.O.[OH-].[OH-].[OH-].[Ti].[Ti]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CO)(C(=O)CCCCCCCCCCCCCCCCC)O.O.O.O.[OH-].[OH-].[OH-].[Ti].[Ti]

InChI

InChI=1S/C38H74O4.6H2O.2Ti/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38(42,35-39)37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;;/h39,42H,3-35H2,1-2H3;6*1H2;;/p-3