2-(2,2-dimethylpropyl)-3,3,4-tris(oxidanyl)-2-prop-2-enoxy-decanoic acid; titanium

Systemtic Name: 2-(2,2-dimethylpropyl)-3,3,4-tris(oxidanyl)-2-prop-2-enoxy-decanoic acid; titanium Openeye Name: 2-allyloxy-2-(2,2-dimethylpropyl)-3,3,4-trihydroxy-decanoic acid; titanium CAS Name: 2-(2,2-dimethylpropyl)-3,3,4-trihydroxy-2-prop-2-enoxydecanoic acid; titanium IUPAC Name: 2-(2,2-dimethylpropyl)-3,3,4-trihydroxy-2-prop-2-enoxydecanoic acid; titanium Traditional Name: 2-allyloxy-3,3,4-trihydroxy-2-neopentyl-capric acid; titanium Formula: C72H136O24Ti MolecularWeight: 1433.70284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.[Ti]

Isomeric SMILES

CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.CCCCCCC(C(C(CC(C)(C)C)(C(=O)O)OCC=C)(O)O)O.[Ti]

InChI

InChI=1S/4C18H34O6.Ti/c4*1-6-8-9-10-11-14(19)18(22,23)17(15(20)21,24-12-7-2)13-16(3,4)5;/h4*7,14,19,22-23H,2,6,8-13H2,1,3-5H3,(H,20,21);