[(3E)-3-(chloranylmethylidene)-1-benzoxepin-7-yl]methyl octanoate

Systemtic Name: [(3E)-3-(chloranylmethylidene)-1-benzoxepin-7-yl]methyl octanoate Openeye Name: [(3E)-3-(chloromethylene)-1-benzoxepin-7-yl]methyl octanoate CAS Name: octanoic acid [(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl ester IUPAC Name: [(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl octanoate Traditional Name: caprylic acid [(3E)-3-(chloromethylene)-1-benzoxepin-7-yl]methyl ester Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=CC2=C(C=C1)OCC(=CCl)C=C2

Isomeric SMILES

CCCCCCCC(=O)OCC1=CC2=C(C=C1)OC/C(=C/Cl)/C=C2

InChI

InChI=1S/C20H25ClO3/c1-2-3-4-5-6-7-20(22)24-14-16-9-11-19-18(12-16)10-8-17(13-21)15-23-19/h8-13H,2-7,14-15H2,1H3/b17-13+