3-(3-oxidanylbut-1-ynyl)isochromen-1-one

Systemtic Name: 3-(3-oxidanylbut-1-ynyl)isochromen-1-one Openeye Name: 3-(3-hydroxybut-1-ynyl)isochromen-1-one CAS Name: 3-(3-hydroxybut-1-ynyl)-2-benzopyran-1-one IUPAC Name: 3-(3-hydroxybut-1-ynyl)isochromen-1-one Traditional Name: 3-(3-hydroxybut-1-ynyl)isocoumarin Formula: C13H10O3 MolecularWeight: 214.2167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=CC=CC=C2C(=O)O1)O

Isomeric SMILES

CC(C#CC1=CC2=CC=CC=C2C(=O)O1)O

InChI

InChI=1S/C13H10O3/c1-9(14)6-7-11-8-10-4-2-3-5-12(10)13(15)16-11/h2-5,8-9,14H,1H3