sodium; 3-[2,4-bis(chloranyl)phenoxy]-3-oxidanylidene-propanoate; butane

Systemtic Name: sodium; 3-[2,4-bis(chloranyl)phenoxy]-3-oxidanylidene-propanoate; butane Openeye Name: sodium; butane; 3-(2,4-dichlorophenoxy)-3-oxo-propanoate CAS Name: sodium; butane; 3-(2,4-dichlorophenoxy)-3-oxopropanoate IUPAC Name: sodium; butane; 3-(2,4-dichlorophenoxy)-3-oxopropanoate Traditional Name: sodium; 3-(2,4-dichlorophenoxy)-3-keto-propionate; n-butane Formula: C13H15Cl2NaO4 MolecularWeight: 329.15157

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=C(C=C1Cl)Cl)OC(=O)CC(=O)[O-].[Na+]

Isomeric SMILES

CCCC.C1=CC(=C(C=C1Cl)Cl)OC(=O)CC(=O)[O-].[Na+]

InChI

InChI=1S/C9H6Cl2O4.C4H10.Na/c10-5-1-2-7(6(11)3-5)15-9(14)4-8(12)13;1-3-4-2;/h1-3H,4H2,(H,12,13);3-4H2,1-2H3;/q;;+1/p-1