3-butyl-4-hex-1-ynyl-isochromen-1-one

Systemtic Name: 3-butyl-4-hex-1-ynyl-isochromen-1-one Openeye Name: 3-butyl-4-hex-1-ynyl-isochromen-1-one CAS Name: 3-butyl-4-hex-1-ynyl-2-benzopyran-1-one IUPAC Name: 3-butyl-4-hex-1-ynylisochromen-1-one Traditional Name: 3-butyl-4-hex-1-ynyl-isocoumarin Formula: C19H22O2 MolecularWeight: 282.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(OC(=O)C2=CC=CC=C21)CCCC

Isomeric SMILES

CCCCC#CC1=C(OC(=O)C2=CC=CC=C21)CCCC

InChI

InChI=1S/C19H22O2/c1-3-5-7-8-12-16-15-11-9-10-13-17(15)19(20)21-18(16)14-6-4-2/h9-11,13H,3-7,14H2,1-2H3