5-chloranyl-3-(2-methylphenyl)-4a,5-dihydrochromen-4-one

Systemtic Name: 5-chloranyl-3-(2-methylphenyl)-4a,5-dihydrochromen-4-one Openeye Name: 5-chloro-3-(o-tolyl)-4a,5-dihydrochromen-4-one CAS Name: 5-chloro-3-(2-methylphenyl)-4a,5-dihydro-1-benzopyran-4-one IUPAC Name: 5-chloro-3-(2-methylphenyl)-4a,5-dihydrochromen-4-one Traditional Name: 5-chloro-3-(o-tolyl)-4a,5-dihydrochromen-4-one Formula: C16H13ClO2 MolecularWeight: 272.72622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=COC3=CC=CC(C3C2=O)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=COC3=CC=CC(C3C2=O)Cl

InChI

InChI=1S/C16H13ClO2/c1-10-5-2-3-6-11(10)12-9-19-14-8-4-7-13(17)15(14)16(12)18/h2-9,13,15H,1H3