sodium 4-cyclopropyl-3-phenyl-butanoate

Systemtic Name: sodium 4-cyclopropyl-3-phenyl-butanoate Openeye Name: sodium 4-cyclopropyl-3-phenyl-butanoate CAS Name: sodium 4-cyclopropyl-3-phenylbutanoate IUPAC Name: sodium 4-cyclopropyl-3-phenylbutanoate Traditional Name: sodium 4-cyclopropyl-3-phenyl-butyrate Formula: C13H15NaO2 MolecularWeight: 226.24677

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(CC(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

C1CC1CC(CC(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H16O2.Na/c14-13(15)9-12(8-10-6-7-10)11-4-2-1-3-5-11;/h1-5,10,12H,6-9H2,(H,14,15);/q;+1/p-1