sodium 2-(5-phenylpentyl)oxirane-2-carboxylate dihydrate

Systemtic Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate dihydrate Openeye Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate dihydrate CAS Name: sodium 2-(5-phenylpentyl)-2-oxiranecarboxylate dihydrate IUPAC Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate dihydrate Traditional Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate dihydrate Formula: C14H21NaO5 MolecularWeight: 292.30331

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C14H18O3.Na.2H2O/c15-13(16)14(11-17-14)10-6-2-5-9-12-7-3-1-4-8-12;;;/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,16);;2*1H2/q;+1;;/p-1