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

Systemtic Name: sodium 4-[2-[2,4-bis(oxidanylidene)chromen-3-yl]-4-oxidanylidene-pentyl]phthalic acid Openeye Name: sodium 4-[2-(2,4-dioxochroman-3-yl)-4-oxo-pentyl]phthalic acid CAS Name: sodium 4-[2-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-4-oxopentyl]phthalic acid IUPAC Name: sodium 4-[2-(2,4-dioxochromen-3-yl)-4-oxopentyl]phthalic acid Traditional Name: sodium 4-[2-(2,4-diketochroman-3-yl)-4-keto-pentyl]phthalic acid Formula: C22H18NaO8+ MolecularWeight: 433.36329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O8.Na/c1-11(23)8-13(9-12-6-7-14(20(25)26)16(10-12)21(27)28)18-19(24)15-4-2-3-5-17(15)30-22(18)29;/h2-7,10,13,18H,8-9H2,1H3,(H,25,26)(H,27,28);/q;+1