3-(3-ethoxy-1-oxidanyl-3-oxidanylidene-2-phenylsulfanyl-propyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 3-(3-ethoxy-1-oxidanyl-3-oxidanylidene-2-phenylsulfanyl-propyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-(3-ethoxy-1-hydroxy-3-oxo-2-phenylsulfanyl-propyl)-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[3-ethoxy-1-hydroxy-3-oxo-2-(phenylthio)propyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-(3-ethoxy-1-hydroxy-3-oxo-2-phenylsulfanylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[3-ethoxy-1-hydroxy-3-keto-2-(phenylthio)propyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C17H22O5S MolecularWeight: 338.41858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1C(C1(C)C)C(=O)O)O)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C1C(C1(C)C)C(=O)O)O)SC2=CC=CC=C2

InChI

InChI=1S/C17H22O5S/c1-4-22-16(21)14(23-10-8-6-5-7-9-10)13(18)11-12(15(19)20)17(11,2)3/h5-9,11-14,18H,4H2,1-3H3,(H,19,20)