6-chloranyl-4-methyl-7-[(2S)-3-oxidanylidenebutan-2-yl]oxy-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-[(2S)-3-oxidanylidenebutan-2-yl]oxy-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-4-methyl-7-[(1S)-1-methyl-2-oxo-propoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[(2S)-3-oxobutan-2-yl]oxy-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-methyl-7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one Traditional Name: 3-benzyl-6-chloro-7-[(1S)-2-keto-1-methyl-propoxy]-4-methyl-coumarin Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO4/c1-12-16-10-18(22)20(25-14(3)13(2)23)11-19(16)26-21(24)17(12)9-15-7-5-4-6-8-15/h4-8,10-11,14H,9H2,1-3H3/t14-/m0/s1