2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxidanylidene-chromene-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxidanylidene-chromene-6-carboxylic acid Openeye Name: 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-3-ethyl-4-oxo-chromene-6-carboxylic acid CAS Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxo-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxochromene-6-carboxylic acid Traditional Name: 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-3-ethyl-4-keto-chromene-6-carboxylic acid Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C=CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)/C=C/C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H20O4/c1-4-17-19(9-7-15-11-13(2)5-6-14(15)3)26-20-10-8-16(22(24)25)12-18(20)21(17)23/h5-12H,4H2,1-3H3,(H,24,25)/b9-7+