3-chloranylphenol; (E)-3-ethoxyprop-2-enoate; titanium(2+)

Systemtic Name: 3-chloranylphenol; (E)-3-ethoxyprop-2-enoate; titanium(2+) Openeye Name: 3-chlorophenol; (E)-3-ethoxyprop-2-enoate; titanium(2+) CAS Name: 3-chlorophenol; (E)-3-ethoxy-2-propenoate; titanium(2+) IUPAC Name: 3-chlorophenol; (E)-3-ethoxyprop-2-enoate; titanium(2+) Traditional Name: 3-chlorophenol; (E)-3-ethoxyacrylate; titanium(2+) Formula: C22H24Cl2O8Ti MolecularWeight: 535.19416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=CC(=O)[O-].CCOC=CC(=O)[O-].C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Ti+2]

Isomeric SMILES

CCO/C=C/C(=O)[O-].CCO/C=C/C(=O)[O-].C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Ti+2]

InChI

InChI=1S/2C6H5ClO.2C5H8O3.Ti/c2*7-5-2-1-3-6(8)4-5;2*1-2-8-4-3-5(6)7;/h2*1-4,8H;2*3-4H,2H2,1H3,(H,6,7);/q;;;;+2/p-2/b;;2*4-3+;