sodium 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: sodium 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: sodium 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: sodium 4-[(4-chlorophenyl)thio]butanoate IUPAC Name: sodium 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: sodium 4-[(4-chlorophenyl)thio]butyrate Formula: C10H10ClNaO2S MolecularWeight: 252.69297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C10H11ClO2S.Na/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13;/h3-6H,1-2,7H2,(H,12,13);/q;+1/p-1