6-chloranyl-4-methyl-7-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 7-acetonyloxy-3-benzyl-6-chloro-4-methyl-chromen-2-one CAS Name: 6-chloro-4-methyl-7-(2-oxopropoxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-methyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-3-benzyl-6-chloro-4-methyl-coumarin Formula: C20H17ClO4 MolecularWeight: 356.79958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO4/c1-12(22)11-24-19-10-18-15(9-17(19)21)13(2)16(20(23)25-18)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3