6-butan-2-yl-2,3-dihydrothiochromen-4-one

Systemtic Name: 6-butan-2-yl-2,3-dihydrothiochromen-4-one Openeye Name: 6-sec-butylthiochroman-4-one CAS Name: 6-butan-2-yl-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 6-butan-2-yl-2,3-dihydrothiochromen-4-one Traditional Name: 6-sec-butylthiochroman-4-one Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)SCCC2=O

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)SCCC2=O

InChI

InChI=1S/C13H16OS/c1-3-9(2)10-4-5-13-11(8-10)12(14)6-7-15-13/h4-5,8-9H,3,6-7H2,1-2H3