3-[(E)-3-tert-butylsulfanyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 3-[(E)-3-tert-butylsulfanyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-[(E)-3-tert-butylsulfanyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[(E)-3-(tert-butylthio)-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-[(E)-3-tert-butylsulfanyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-3-(tert-butylthio)-3-keto-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)O)C=CC(=O)SC(C)(C)C)C

Isomeric SMILES

CC1(C(C1C(=O)O)/C=C/C(=O)SC(C)(C)C)C

InChI

InChI=1S/C13H20O3S/c1-12(2,3)17-9(14)7-6-8-10(11(15)16)13(8,4)5/h6-8,10H,1-5H3,(H,15,16)/b7-6+