sodium 3-ethyl-2-oxidanylidene-3-phenyl-hex-5-ynoate

Systemtic Name: sodium 3-ethyl-2-oxidanylidene-3-phenyl-hex-5-ynoate Openeye Name: sodium 3-ethyl-2-oxo-3-phenyl-hex-5-ynoate CAS Name: sodium 3-ethyl-2-oxo-3-phenyl-5-hexynoate IUPAC Name: sodium 3-ethyl-2-oxo-3-phenylhex-5-ynoate Traditional Name: sodium 3-ethyl-2-keto-3-phenyl-hex-5-ynoate Formula: C14H13NaO3 MolecularWeight: 252.24099

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#C)(C1=CC=CC=C1)C(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC#C)(C1=CC=CC=C1)C(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H14O3.Na/c1-3-10-14(4-2,12(15)13(16)17)11-8-6-5-7-9-11;/h1,5-9H,4,10H2,2H3,(H,16,17);/q;+1/p-1