(2R)-2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoate

Systemtic Name: (2R)-2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoate Openeye Name: (2R)-2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: (2R)-2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]propanoate IUPAC Name: (2R)-2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: (2R)-2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropionate Formula: C20H25O5- MolecularWeight: 345.4095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)[O-])C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)O[C@H](C)C(=O)[O-])C)OC1=O)C

InChI

InChI=1S/C20H26O5/c1-5-6-7-8-9-16-12(2)15-10-11-17(24-14(4)19(21)22)13(3)18(15)25-20(16)23/h10-11,14H,5-9H2,1-4H3,(H,21,22)/p-1/t14-/m1/s1