3-[1-(methylsulfanylmethoxy)-1-oxidanyl-2-oxidanylidene-ethyl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-[1-(methylsulfanylmethoxy)-1-oxidanyl-2-oxidanylidene-ethyl]-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-[1-hydroxy-1-(methylsulfanylmethoxy)-2-oxo-ethyl]benzoic acid CAS Name: 3-[1-hydroxy-1-[(methylthio)methoxy]-2-oxoethyl]-5-phenylmethoxybenzoic acid IUPAC Name: 3-[1-hydroxy-1-(methylsulfanylmethoxy)-2-oxoethyl]-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-[1-hydroxy-2-keto-1-[(methylthio)methoxy]ethyl]benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCOC(C=O)(C1=CC(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)O

Isomeric SMILES

CSCOC(C=O)(C1=CC(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C18H18O6S/c1-25-12-24-18(22,11-19)15-7-14(17(20)21)8-16(9-15)23-10-13-5-3-2-4-6-13/h2-9,11,22H,10,12H2,1H3,(H,20,21)