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

Systemtic Name: 3-[(E)-3-butoxy-2-chloranyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-[(E)-3-butoxy-2-chloro-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[(E)-3-butoxy-2-chloro-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-[(E)-3-butoxy-2-chloro-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-3-butoxy-2-chloro-3-keto-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C13H19ClO4 MolecularWeight: 274.74056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1C(C1(C)C)C(=O)O)Cl

Isomeric SMILES

CCCCOC(=O)/C(=C\C1C(C1(C)C)C(=O)O)/Cl

InChI

InChI=1S/C13H19ClO4/c1-4-5-6-18-12(17)9(14)7-8-10(11(15)16)13(8,2)3/h7-8,10H,4-6H2,1-3H3,(H,15,16)/b9-7+