3-butyl-8-oxidanyl-isochromen-1-one

Systemtic Name: 3-butyl-8-oxidanyl-isochromen-1-one Openeye Name: 3-butyl-8-hydroxy-isochromen-1-one CAS Name: 3-butyl-8-hydroxy-2-benzopyran-1-one IUPAC Name: 3-butyl-8-hydroxyisochromen-1-one Traditional Name: 3-butyl-8-hydroxy-isocoumarin Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=CC=C2)O)C(=O)O1

Isomeric SMILES

CCCCC1=CC2=C(C(=CC=C2)O)C(=O)O1

InChI

InChI=1S/C13H14O3/c1-2-3-6-10-8-9-5-4-7-11(14)12(9)13(15)16-10/h4-5,7-8,14H,2-3,6H2,1H3