sodium 3-[2-[2,4-bis(oxidanylidene)chromen-3-yl]-4-oxidanylidene-pentyl]benzoate

Systemtic Name: sodium 3-[2-[2,4-bis(oxidanylidene)chromen-3-yl]-4-oxidanylidene-pentyl]benzoate Openeye Name: sodium 3-[2-(2,4-dioxochroman-3-yl)-4-oxo-pentyl]benzoate CAS Name: sodium 3-[2-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-4-oxopentyl]benzoate IUPAC Name: sodium 3-[2-(2,4-dioxochromen-3-yl)-4-oxopentyl]benzoate Traditional Name: sodium 3-[2-(2,4-diketochroman-3-yl)-4-keto-pentyl]benzoate Formula: C21H17NaO6 MolecularWeight: 388.34585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC(=C1)C(=O)[O-])C2C(=O)C3=CC=CC=C3OC2=O.[Na+]

Isomeric SMILES

CC(=O)CC(CC1=CC=CC(=C1)C(=O)[O-])C2C(=O)C3=CC=CC=C3OC2=O.[Na+]

InChI

InChI=1S/C21H18O6.Na/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);/q;+1/p-1