methyl (2E)-2-(3H-2-benzofuran-1-ylidene)hexanoate

Systemtic Name: methyl (2E)-2-(3H-2-benzofuran-1-ylidene)hexanoate Openeye Name: methyl (2E)-2-(3H-isobenzofuran-1-ylidene)hexanoate CAS Name: (2E)-2-(3H-isobenzofuran-1-ylidene)hexanoic acid methyl ester IUPAC Name: methyl (2E)-2-(3H-2-benzofuran-1-ylidene)hexanoate Traditional Name: (2E)-2-phthalan-1-ylidenehexanoic acid methyl ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C2=CC=CC=C2CO1)C(=O)OC

Isomeric SMILES

CCCC/C(=C\1/C2=CC=CC=C2CO1)/C(=O)OC

InChI

InChI=1S/C15H18O3/c1-3-4-8-13(15(16)17-2)14-12-9-6-5-7-11(12)10-18-14/h5-7,9H,3-4,8,10H2,1-2H3/b14-13+