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

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-2-phenylsulfanyl-propyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-(3-ethoxy-3-oxo-2-phenylsulfanyl-propyl)-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[3-ethoxy-3-oxo-2-(phenylthio)propyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-(3-ethoxy-3-oxo-2-phenylsulfanylpropyl)-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[3-ethoxy-3-keto-2-(phenylthio)propyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1C(C1(C)C)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1C(C1(C)C)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C17H22O4S/c1-4-21-16(20)13(22-11-8-6-5-7-9-11)10-12-14(15(18)19)17(12,2)3/h5-9,12-14H,4,10H2,1-3H3,(H,18,19)