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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

InChI

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