2-octadecanoyl-2-oxidanyl-3-oxidanylidene-icosanoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 2-octadecanoyl-2-oxidanyl-3-oxidanylidene-icosanoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 2-hydroxy-2-octadecanoyl-3-oxo-icosanoic acid; hydroxy(oxo)titanium CAS Name: 2-hydroxy-3-oxo-2-(1-oxooctadecyl)eicosanoic acid; hydroxy(oxo)titanium IUPAC Name: 2-hydroxy-2-octadecanoyl-3-oxoicosanoic acid; hydroxy(oxo)titanium Traditional Name: 2-hydroxy-3-keto-2-stearoyl-arachidic acid; hydroxy(keto)titanium Formula: C38H73O7Ti MolecularWeight: 689.84902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)O.O[Ti]=O

InChI

InChI=1S/C38H72O5.H2O.O.Ti/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(39)38(43,37(41)42)36(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;/h43H,3-34H2,1-2H3,(H,41,42);1H2;;/q;;;+1/p-1