2-butoxy-2-(phenylsulfonyl)ethanoic acid

Systemtic Name: 2-butoxy-2-(phenylsulfonyl)ethanoic acid Openeye Name: 2-(benzenesulfonyl)-2-butoxy-acetic acid CAS Name: 2-(benzenesulfonyl)-2-butoxyacetic acid IUPAC Name: 2-(benzenesulfonyl)-2-butoxyacetic acid Traditional Name: 2-besyl-2-butoxy-acetic acid Formula: C12H16O5S MolecularWeight: 272.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCOC(C(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O5S/c1-2-3-9-17-12(11(13)14)18(15,16)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14)