3-[2-[2,4-bis(oxidanylidene)chromen-3-yl]-4-oxidanylidene-pentyl]benzoic acid

Systemtic Name: 3-[2-[2,4-bis(oxidanylidene)chromen-3-yl]-4-oxidanylidene-pentyl]benzoic acid Openeye Name: 3-[2-(2,4-dioxochroman-3-yl)-4-oxo-pentyl]benzoic acid CAS Name: 3-[2-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-4-oxopentyl]benzoic acid IUPAC Name: 3-[2-(2,4-dioxochromen-3-yl)-4-oxopentyl]benzoic acid Traditional Name: 3-[2-(2,4-diketochroman-3-yl)-4-keto-pentyl]benzoic acid Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC(=C1)C(=O)O)C2C(=O)C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(=O)CC(CC1=CC=CC(=C1)C(=O)O)C2C(=O)C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H18O6/c1-12(22)9-15(11-13-5-4-6-14(10-13)20(24)25)18-19(23)16-7-2-3-8-17(16)27-21(18)26/h2-8,10,15,18H,9,11H2,1H3,(H,24,25)