sodium 2-(2-phenylsulfanylcyclohexen-1-yl)ethanoate

Systemtic Name: sodium 2-(2-phenylsulfanylcyclohexen-1-yl)ethanoate Openeye Name: sodium 2-(2-phenylsulfanylcyclohexen-1-yl)acetate CAS Name: sodium 2-[2-(phenylthio)-1-cyclohexenyl]acetate IUPAC Name: sodium 2-(2-phenylsulfanylcyclohexen-1-yl)acetate Traditional Name: sodium 2-[2-(phenylthio)cyclohexen-1-yl]acetate Formula: C14H15NaO2S MolecularWeight: 270.32247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)CC(=O)[O-])SC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1CCC(=C(C1)CC(=O)[O-])SC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H16O2S.Na/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12;/h1-3,7-8H,4-6,9-10H2,(H,15,16);/q;+1/p-1