4-ethyl-3-(4-methylphenyl)carbonyl-isochromen-1-one

Systemtic Name: 4-ethyl-3-(4-methylphenyl)carbonyl-isochromen-1-one Openeye Name: 4-ethyl-3-(4-methylbenzoyl)isochromen-1-one CAS Name: 4-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-ethyl-3-(4-methylbenzoyl)isochromen-1-one Traditional Name: 4-ethyl-3-p-toluoyl-isocoumarin Formula: C19H16O3 MolecularWeight: 292.32854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=O)C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(OC(=O)C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H16O3/c1-3-14-15-6-4-5-7-16(15)19(21)22-18(14)17(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3