(2S)-2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxypropanoate

Systemtic Name: (2S)-2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxypropanoate Openeye Name: (2S)-2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxypropanoate CAS Name: (2S)-2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]propanoate IUPAC Name: (2S)-2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxypropanoate Traditional Name: (2S)-2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxypropionate Formula: C17H19O5- MolecularWeight: 303.32976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O5/c1-4-5-6-12-9-15(18)22-14-8-10(2)7-13(16(12)14)21-11(3)17(19)20/h7-9,11H,4-6H2,1-3H3,(H,19,20)/p-1/t11-/m0/s1