sodium 3-(4-chlorophenyl)-4-cyclopropyl-butanoate

Systemtic Name: sodium 3-(4-chlorophenyl)-4-cyclopropyl-butanoate Openeye Name: sodium 3-(4-chlorophenyl)-4-cyclopropyl-butanoate CAS Name: sodium 3-(4-chlorophenyl)-4-cyclopropylbutanoate IUPAC Name: sodium 3-(4-chlorophenyl)-4-cyclopropylbutanoate Traditional Name: sodium 3-(4-chlorophenyl)-4-cyclopropyl-butyrate Formula: C13H14ClNaO2 MolecularWeight: 260.69183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(CC(=O)[O-])C2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1CC1CC(CC(=O)[O-])C2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C13H15ClO2.Na/c14-12-5-3-10(4-6-12)11(8-13(15)16)7-9-1-2-9;/h3-6,9,11H,1-2,7-8H2,(H,15,16);/q;+1/p-1