(2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoate

Systemtic Name: (2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoate Openeye Name: (2S)-2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: (2S)-2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]propanoate IUPAC Name: (2S)-2-(4-butyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: (2S)-2-(4-butyl-2-keto-chromen-7-yl)oxypropionate Formula: C16H17O5- MolecularWeight: 289.30318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C16H18O5/c1-3-4-5-11-8-15(17)21-14-9-12(6-7-13(11)14)20-10(2)16(18)19/h6-10H,3-5H2,1-2H3,(H,18,19)/p-1/t10-/m0/s1