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sodium 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate hydrate

sodium 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate hydrate

Systemtic Name:sodium 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate hydrate
Openeye Name:sodium 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate hydrate
CAS Name:sodium 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate hydrate
IUPAC Name:sodium 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate hydrate
Traditional Name:sodium 2-[4-[(2-ketocyclopentyl)methyl]phenyl]propionate hydrate
Formula: C15H19NaO4
MolecularWeight: 286.29873
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H18O3.Na.H2O/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);;1H2/q;+1;/p-1


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