3-ethoxy-2-[(E)-2-(2-ethylphenyl)ethenyl]-4-oxidanylidene-chromene-6-carboxylic acid

Systemtic Name: 3-ethoxy-2-[(E)-2-(2-ethylphenyl)ethenyl]-4-oxidanylidene-chromene-6-carboxylic acid Openeye Name: 3-ethoxy-2-[(E)-2-(2-ethylphenyl)vinyl]-4-oxo-chromene-6-carboxylic acid CAS Name: 3-ethoxy-2-[(E)-2-(2-ethylphenyl)ethenyl]-4-oxo-1-benzopyran-6-carboxylic acid IUPAC Name: 3-ethoxy-2-[(E)-2-(2-ethylphenyl)ethenyl]-4-oxochromene-6-carboxylic acid Traditional Name: 3-ethoxy-2-[(E)-2-(2-ethylphenyl)vinyl]-4-keto-chromene-6-carboxylic acid Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C=CC2=C(C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OCC

Isomeric SMILES

CCC1=CC=CC=C1/C=C/C2=C(C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OCC

InChI

InChI=1S/C22H20O5/c1-3-14-7-5-6-8-15(14)9-12-19-21(26-4-2)20(23)17-13-16(22(24)25)10-11-18(17)27-19/h5-13H,3-4H2,1-2H3,(H,24,25)/b12-9+