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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1C(=O)O)C2C(=O)C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1C(=O)O)C2C(=O)C3=CC=CC=C3OC2=O

InChI

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