3-(3-oxidanylpropyl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one

Systemtic Name: 3-(3-oxidanylpropyl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one Openeye Name: 3-(3-hydroxypropyl)-7-[2-(3-thienyl)ethynyl]isochromen-1-one CAS Name: 3-(3-hydroxypropyl)-7-[2-(3-thiophenyl)ethynyl]-2-benzopyran-1-one IUPAC Name: 3-(3-hydroxypropyl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one Traditional Name: 3-(3-hydroxypropyl)-7-[2-(3-thienyl)ethynyl]isocoumarin Formula: C18H14O3S MolecularWeight: 310.36696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#CC3=CSC=C3)C(=O)OC(=C2)CCCO

Isomeric SMILES

C1=CC2=C(C=C1C#CC3=CSC=C3)C(=O)OC(=C2)CCCO

InChI

InChI=1S/C18H14O3S/c19-8-1-2-16-11-15-6-5-13(10-17(15)18(20)21-16)3-4-14-7-9-22-12-14/h5-7,9-12,19H,1-2,8H2