sodium; butanoate; 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one

Systemtic Name: sodium; butanoate; 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one Openeye Name: sodium; butanoate; 2-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one CAS Name: sodium; butanoate; 2-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one IUPAC Name: sodium; butanoate; 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one Traditional Name: sodium; butyrate; 2-hydroxy-3-(3-keto-1-phenyl-butyl)chromone Formula: C23H23NaO6 MolecularWeight: 418.41489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.[Na+]

Isomeric SMILES

CCCC(=O)[O-].CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.[Na+]

InChI

InChI=1S/C19H16O4.C4H8O2.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-2-3-4(5)6;/h2-10,15,22H,11H2,1H3;2-3H2,1H3,(H,5,6);/q;;+1/p-1