6-chloranyl-3-[(4-methylphenyl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-3-[(4-methylphenyl)methyl]chromen-2-one Openeye Name: 6-chloro-3-(p-tolylmethyl)chromen-2-one CAS Name: 6-chloro-3-[(4-methylphenyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-[(4-methylphenyl)methyl]chromen-2-one Traditional Name: 6-chloro-3-(4-methylbenzyl)coumarin Formula: C17H13ClO2 MolecularWeight: 284.73692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3)Cl)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C17H13ClO2/c1-11-2-4-12(5-3-11)8-14-9-13-10-15(18)6-7-16(13)20-17(14)19/h2-7,9-10H,8H2,1H3