6-chloranyl-3-(4-methylphenyl)carbonyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-(4-methylphenyl)carbonyl-chromen-2-one Openeye Name: 6-chloro-3-(4-methylbenzoyl)chromen-2-one CAS Name: 6-chloro-3-[(4-methylphenyl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-(4-methylbenzoyl)chromen-2-one Traditional Name: 6-chloro-3-p-toluoyl-coumarin Formula: C17H11ClO3 MolecularWeight: 298.72044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C17H11ClO3/c1-10-2-4-11(5-3-10)16(19)14-9-12-8-13(18)6-7-15(12)21-17(14)20/h2-9H,1H3