sodium (2R)-2-[4-[[(1S)-2-oxidanylidenecyclopentyl]methyl]phenyl]propanoate

Systemtic Name: sodium (2R)-2-[4-[[(1S)-2-oxidanylidenecyclopentyl]methyl]phenyl]propanoate Openeye Name: sodium (2R)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanoate CAS Name: sodium (2R)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanoate IUPAC Name: sodium (2R)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanoate Traditional Name: sodium (2R)-2-[4-[[(1S)-2-ketocyclopentyl]methyl]phenyl]propionate Formula: C15H17NaO3 MolecularWeight: 268.28345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C[C@@H]2CCCC2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1/t10-,13+;/m1./s1