6-methyl-3-(4-oxidanylbut-2-ynoxy)thiochromen-4-one

Systemtic Name: 6-methyl-3-(4-oxidanylbut-2-ynoxy)thiochromen-4-one Openeye Name: 3-(4-hydroxybut-2-ynoxy)-6-methyl-thiochromen-4-one CAS Name: 3-(4-hydroxybut-2-ynoxy)-6-methyl-1-benzothiopyran-4-one IUPAC Name: 3-(4-hydroxybut-2-ynoxy)-6-methylthiochromen-4-one Traditional Name: 3-(4-hydroxybut-2-ynoxy)-6-methyl-thiochromen-4-one Formula: C14H12O3S MolecularWeight: 260.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C(C2=O)OCC#CCO

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C(C2=O)OCC#CCO

InChI

InChI=1S/C14H12O3S/c1-10-4-5-13-11(8-10)14(16)12(9-18-13)17-7-3-2-6-15/h4-5,8-9,15H,6-7H2,1H3