(E)-2-oxidanyl-7-propoxy-hept-3-enoate; titanium(4+)

Systemtic Name: (E)-2-oxidanyl-7-propoxy-hept-3-enoate; titanium(4+) Openeye Name: (E)-2-hydroxy-7-propoxy-hept-3-enoate; titanium(4+) CAS Name: (E)-2-hydroxy-7-propoxy-3-heptenoate; titanium(4+) IUPAC Name: (E)-2-hydroxy-7-propoxyhept-3-enoate; titanium(4+) Traditional Name: (E)-2-hydroxy-7-propoxy-hept-3-enoate; titanium(4+) Formula: C40H68O16Ti MolecularWeight: 852.82532

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCC=CC(C(=O)[O-])O.CCCOCCCC=CC(C(=O)[O-])O.CCCOCCCC=CC(C(=O)[O-])O.CCCOCCCC=CC(C(=O)[O-])O.[Ti+4]

Isomeric SMILES

CCCOCCC/C=C/C(O)C(=O)[O-].CCCOCCC/C=C/C(O)C(=O)[O-].CCCOCCC/C=C/C(O)C(=O)[O-].CCCOCCC/C=C/C(O)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C10H18O4.Ti/c4*1-2-7-14-8-5-3-4-6-9(11)10(12)13;/h4*4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13);/q;;;;+4/p-4/b4*6-4+;