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

Systemtic Name: 4-hex-1-ynyl-3-propyl-isochromen-1-one Openeye Name: 4-hex-1-ynyl-3-propyl-isochromen-1-one CAS Name: 4-hex-1-ynyl-3-propyl-2-benzopyran-1-one IUPAC Name: 4-hex-1-ynyl-3-propylisochromen-1-one Traditional Name: 4-hex-1-ynyl-3-propyl-isocoumarin Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2/c1-3-5-6-7-12-15-14-11-8-9-13-16(14)18(19)20-17(15)10-4-2/h8-9,11,13H,3-6,10H2,1-2H3