3-methyl-4-oxidanylidene-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid

Systemtic Name: 3-methyl-4-oxidanylidene-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid Openeye Name: 3-methyl-4-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid CAS Name: 3-methyl-4-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)-1-benzopyran-8-carboxylic acid IUPAC Name: 3-methyl-4-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid Traditional Name: 4-keto-3-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid Formula: C17H12O4 MolecularWeight: 285.305589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C)[2H])[2H]

InChI

InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)/i2D,3D,4D,6D,7D