ethenone; 12-oxidanyloctadecanoic acid; titanium; dihydroxide

Systemtic Name: ethenone; 12-oxidanyloctadecanoic acid; titanium; dihydroxide Openeye Name: ethenone; 12-hydroxyoctadecanoic acid; titanium; dihydroxide CAS Name: ethenone; 12-hydroxyoctadecanoic acid; titanium; dihydroxide IUPAC Name: ethenone; 12-hydroxyoctadecanoic acid; titanium; dihydroxide Traditional Name: 12-hydroxystearic acid; ketene; titanium; dihydroxide Formula: C38H76O9Ti-2 MolecularWeight: 724.87164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O.C=C=O.[OH-].[OH-].[Ti]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O.C=C=O.[OH-].[OH-].[Ti]

InChI

InChI=1S/2C18H36O3.C2H2O.2H2O.Ti/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-3;;;/h2*17,19H,2-16H2,1H3,(H,20,21);1H2;2*1H2;/p-2