(phenylmethyl) (2Z)-2-(1-chloranylethylidene)-5-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) (2Z)-2-(1-chloranylethylidene)-5-oxidanylidene-hexanoate Openeye Name: benzyl (2Z)-2-(1-chloroethylidene)-5-oxo-hexanoate CAS Name: (2Z)-2-(1-chloroethylidene)-5-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2Z)-2-(1-chloroethylidene)-5-oxohexanoate Traditional Name: (Z)-3-chloro-2-(3-ketobutyl)but-2-enoic acid benzyl ester Formula: C15H17ClO3 MolecularWeight: 280.74668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=C(C)Cl)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC/C(=C(\C)/Cl)/C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H17ClO3/c1-11(17)8-9-14(12(2)16)15(18)19-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3/b14-12-