4-[[5-(2-methylpropoxy)-4-oxidanylidene-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(2-methylpropoxy)-4-oxidanylidene-chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[(5-isobutoxy-4-oxo-chromen-3-yl)methyl]benzoic acid CAS Name: 4-[[5-(2-methylpropoxy)-4-oxo-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-(2-methylpropoxy)-4-oxochromen-3-yl]methyl]benzoic acid Traditional Name: 4-[(5-isobutoxy-4-keto-chromen-3-yl)methyl]benzoic acid Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC2=C1C(=O)C(=CO2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC2=C1C(=O)C(=CO2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20O5/c1-13(2)11-25-17-4-3-5-18-19(17)20(22)16(12-26-18)10-14-6-8-15(9-7-14)21(23)24/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)