sodium 3-[1-(3-chlorophenyl)-4-oxidanylidene-pentan-2-yl]chromene-2,4-dione

Systemtic Name: sodium 3-[1-(3-chlorophenyl)-4-oxidanylidene-pentan-2-yl]chromene-2,4-dione Openeye Name: sodium 3-[1-[(3-chlorophenyl)methyl]-3-oxo-butyl]chromane-2,4-dione CAS Name: sodium 3-[1-(3-chlorophenyl)-4-oxopentan-2-yl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: sodium 3-[1-(3-chlorophenyl)-4-oxopentan-2-yl]chromene-2,4-dione Traditional Name: sodium 3-[1-(3-chlorobenzyl)-3-keto-butyl]chroman-2,4-quinone Formula: C20H17ClNaO4+ MolecularWeight: 379.78935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO4.Na/c1-12(22)9-14(10-13-5-4-6-15(21)11-13)18-19(23)16-7-2-3-8-17(16)25-20(18)24;/h2-8,11,14,18H,9-10H2,1H3;/q;+1