4-butyl-3-phenyl-isochromen-1-one

Systemtic Name: 4-butyl-3-phenyl-isochromen-1-one Openeye Name: 4-butyl-3-phenyl-isochromen-1-one CAS Name: 4-butyl-3-phenyl-2-benzopyran-1-one IUPAC Name: 4-butyl-3-phenylisochromen-1-one Traditional Name: 4-butyl-3-phenyl-isocoumarin Formula: C19H18O2 MolecularWeight: 278.34502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C19H18O2/c1-2-3-11-16-15-12-7-8-13-17(15)19(20)21-18(16)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3