(2S)-2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate

Systemtic Name: (2S)-2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate Openeye Name: (2S)-2-(3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: (2S)-2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: (2S)-2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: (2S)-2-(3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl)oxypropionate Formula: C20H16ClO5- MolecularWeight: 371.79104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O[C@@H](C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H17ClO5/c1-11-14-9-16(21)18(25-12(2)19(22)23)10-17(14)26-20(24)15(11)8-13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,22,23)/p-1/t12-/m0/s1