2-ethyl-2,3,4,5,6-pentakis(oxidanyl)hexanoate; titanium(4+)

Systemtic Name: 2-ethyl-2,3,4,5,6-pentakis(oxidanyl)hexanoate; titanium(4+) Openeye Name: 2-ethyl-2,3,4,5,6-pentahydroxy-hexanoate; titanium(4+) CAS Name: 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate; titanium(4+) IUPAC Name: 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate; titanium(4+) Traditional Name: 2-ethyl-2,3,4,5,6-pentahydroxy-hexanoate; titanium(4+) Formula: C32H60O28Ti MolecularWeight: 940.669

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.[Ti+4]

Isomeric SMILES

CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.CCC(C(C(C(CO)O)O)O)(C(=O)[O-])O.[Ti+4]

InChI

InChI=1S/4C8H16O7.Ti/c4*1-2-8(15,7(13)14)6(12)5(11)4(10)3-9;/h4*4-6,9-12,15H,2-3H2,1H3,(H,13,14);/q;;;;+4/p-4