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

Systemtic Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate Openeye Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate CAS Name: sodium 2-(5-phenylpentyl)-2-oxiranecarboxylate IUPAC Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate Traditional Name: sodium 2-(5-phenylpentyl)oxirane-2-carboxylate Formula: C14H17NaO3 MolecularWeight: 256.27275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3.Na/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);/q;+1/p-1