ethyl 4-(3,3-dimethyl-4-oxidanylidene-hex-1-en-2-yl)benzoate

Systemtic Name: ethyl 4-(3,3-dimethyl-4-oxidanylidene-hex-1-en-2-yl)benzoate Openeye Name: ethyl 4-(2,2-dimethyl-1-methylene-3-oxo-pentyl)benzoate CAS Name: 4-(3,3-dimethyl-4-oxohex-1-en-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dimethyl-4-oxohex-1-en-2-yl)benzoate Traditional Name: 4-[1-(2-keto-1,1-dimethyl-butyl)vinyl]benzoic acid ethyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(=C)C1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCC(=O)C(C)(C)C(=C)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H22O3/c1-6-15(18)17(4,5)12(3)13-8-10-14(11-9-13)16(19)20-7-2/h8-11H,3,6-7H2,1-2,4-5H3