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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1C(=O)[O-])C2C(=O)C3=CC=CC=C3OC2=O.[Na+]

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1C(=O)[O-])C2C(=O)C3=CC=CC=C3OC2=O.[Na+]

InChI

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