2-(phenylmethyl)sulfinylcyclopentene-1-carboxylate

Systemtic Name: 2-(phenylmethyl)sulfinylcyclopentene-1-carboxylate Openeye Name: 2-benzylsulfinylcyclopentene-1-carboxylate CAS Name: 2-(phenylmethyl)sulfinyl-1-cyclopentenecarboxylate IUPAC Name: 2-benzylsulfinylcyclopentene-1-carboxylate Traditional Name: 2-benzylsulfinylcyclopentene-1-carboxylate Formula: C13H13O3S- MolecularWeight: 249.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)S(=O)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CC(=C(C1)S(=O)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H14O3S/c14-13(15)11-7-4-8-12(11)17(16)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)/p-1