3-methyl-4-oxidanylidene-2-(4-pentylphenyl)chromene-8-carboxylic acid

Systemtic Name: 3-methyl-4-oxidanylidene-2-(4-pentylphenyl)chromene-8-carboxylic acid Openeye Name: 3-methyl-4-oxo-2-(4-pentylphenyl)chromene-8-carboxylic acid CAS Name: 3-methyl-4-oxo-2-(4-pentylphenyl)-1-benzopyran-8-carboxylic acid IUPAC Name: 3-methyl-4-oxo-2-(4-pentylphenyl)chromene-8-carboxylic acid Traditional Name: 2-(4-amylphenyl)-4-keto-3-methyl-chromene-8-carboxylic acid Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H22O4/c1-3-4-5-7-15-10-12-16(13-11-15)20-14(2)19(23)17-8-6-9-18(22(24)25)21(17)26-20/h6,8-13H,3-5,7H2,1-2H3,(H,24,25)