1-(3,4-dihydro-2H-thiochromen-7-yl)-2,2-dimethyl-hexan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-7-yl)-2,2-dimethyl-hexan-1-one Openeye Name: 2,2-dimethyl-1-thiochroman-7-yl-hexan-1-one CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-7-yl)-2,2-dimethyl-1-hexanone IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-7-yl)-2,2-dimethylhexan-1-one Traditional Name: 2,2-dimethyl-1-thiochroman-7-yl-hexan-1-one Formula: C17H24OS MolecularWeight: 276.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)C1=CC2=C(CCCS2)C=C1

Isomeric SMILES

CCCCC(C)(C)C(=O)C1=CC2=C(CCCS2)C=C1

InChI

InChI=1S/C17H24OS/c1-4-5-10-17(2,3)16(18)14-9-8-13-7-6-11-19-15(13)12-14/h8-9,12H,4-7,10-11H2,1-3H3