(1-heptyl-3-oxidanylidene-2-benzofuran-1-yl) ethanoate

Systemtic Name: (1-heptyl-3-oxidanylidene-2-benzofuran-1-yl) ethanoate Openeye Name: (1-heptyl-3-oxo-isobenzofuran-1-yl) acetate CAS Name: acetic acid (1-heptyl-3-oxo-1-isobenzofuranyl) ester IUPAC Name: (1-heptyl-3-oxo-2-benzofuran-1-yl) acetate Traditional Name: acetic acid (1-heptyl-3-keto-phthalan-1-yl) ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=CC=CC=C2C(=O)O1)OC(=O)C

Isomeric SMILES

CCCCCCCC1(C2=CC=CC=C2C(=O)O1)OC(=O)C

InChI

InChI=1S/C17H22O4/c1-3-4-5-6-9-12-17(20-13(2)18)15-11-8-7-10-14(15)16(19)21-17/h7-8,10-11H,3-6,9,12H2,1-2H3