(3-oxidanylidene-1H-2-benzofuran-1-yl) (2S)-2-propyloctanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) (2S)-2-propyloctanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) (2S)-2-propyloctanoate CAS Name: (2S)-2-propyloctanoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) (2S)-2-propyloctanoate Traditional Name: (2S)-2-propylcaprylic acid phthalidyl ester Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C(=O)OC1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCCCC[C@H](CCC)C(=O)OC1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C19H26O4/c1-3-5-6-7-11-14(10-4-2)17(20)22-19-16-13-9-8-12-15(16)18(21)23-19/h8-9,12-14,19H,3-7,10-11H2,1-2H3/t14-,19?/m0/s1