3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(2-ethoxy-2-oxo-ethyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(2-ethoxy-2-oxoethyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(2-ethoxy-2-oxoethyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(2-ethoxy-2-keto-ethyl)thio]ethoxy]benzoic acid Formula: C13H16O5S MolecularWeight: 284.32814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCOC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCOC(=O)CSCCOC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H16O5S/c1-2-17-12(14)9-19-7-6-18-11-5-3-4-10(8-11)13(15)16/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)