bis(oxidanyl)-oxidanylidene-titanium; 3-oxidanylidene-2-prop-2-enoyloxy-icosanoic acid

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 3-oxidanylidene-2-prop-2-enoyloxy-icosanoic acid Openeye Name: dihydroxy(oxo)titanium; 3-oxo-2-prop-2-enoyloxy-icosanoic acid CAS Name: dihydroxy(oxo)titanium; 3-oxo-2-(1-oxoprop-2-enoxy)eicosanoic acid IUPAC Name: dihydroxy(oxo)titanium; 3-oxo-2-prop-2-enoyloxyicosanoic acid Traditional Name: 2-acryloyloxy-3-keto-arachidic acid; dihydroxy(keto)titanium Formula: C23H42O8Ti MolecularWeight: 494.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O5.2H2O.O.Ti/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(24)22(23(26)27)28-21(25)4-2;;;;/h4,22H,2-3,5-19H2,1H3,(H,26,27);2*1H2;;/q;;;;+2/p-2