(2R)-2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate

Systemtic Name: (2R)-2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate Openeye Name: (2R)-2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: (2R)-2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: (2R)-2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: (2R)-2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropionate Formula: C21H19O5- MolecularWeight: 351.37256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H20O5/c1-12-16-9-10-18(25-14(3)20(22)23)13(2)19(16)26-21(24)17(12)11-15-7-5-4-6-8-15/h4-10,14H,11H2,1-3H3,(H,22,23)/p-1/t14-/m1/s1