methyl 2-[(E)-4,4-diethoxy-2-ethoxycarbonyl-3-oxidanylidene-hex-1-enyl]benzoate

Systemtic Name: methyl 2-[(E)-4,4-diethoxy-2-ethoxycarbonyl-3-oxidanylidene-hex-1-enyl]benzoate Openeye Name: methyl 2-[(E)-4,4-diethoxy-2-ethoxycarbonyl-3-oxo-hex-1-enyl]benzoate CAS Name: 2-[(E)-4,4-diethoxy-2-ethoxycarbonyl-3-oxohex-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-4,4-diethoxy-2-ethoxycarbonyl-3-oxohex-1-enyl]benzoate Traditional Name: 2-[(E)-2-carbethoxy-4,4-diethoxy-3-keto-hex-1-enyl]benzoic acid methyl ester Formula: C21H28O7 MolecularWeight: 392.44282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=CC1=CC=CC=C1C(=O)OC)C(=O)OCC)(OCC)OCC

Isomeric SMILES

CCC(C(=O)/C(=C\C1=CC=CC=C1C(=O)OC)/C(=O)OCC)(OCC)OCC

InChI

InChI=1S/C21H28O7/c1-6-21(27-8-3,28-9-4)18(22)17(20(24)26-7-2)14-15-12-10-11-13-16(15)19(23)25-5/h10-14H,6-9H2,1-5H3/b17-14+