2,2-dimethyl-5-oxidanyl-7-pentyl-3H-thiochromen-4-one

Systemtic Name: 2,2-dimethyl-5-oxidanyl-7-pentyl-3H-thiochromen-4-one Openeye Name: 5-hydroxy-2,2-dimethyl-7-pentyl-thiochroman-4-one CAS Name: 5-hydroxy-2,2-dimethyl-7-pentyl-3H-1-benzothiopyran-4-one IUPAC Name: 5-hydroxy-2,2-dimethyl-7-pentyl-3H-thiochromen-4-one Traditional Name: 7-amyl-5-hydroxy-2,2-dimethyl-thiochroman-4-one Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(=O)CC(SC2=C1)(C)C)O

Isomeric SMILES

CCCCCC1=CC(=C2C(=O)CC(SC2=C1)(C)C)O

InChI

InChI=1S/C16H22O2S/c1-4-5-6-7-11-8-12(17)15-13(18)10-16(2,3)19-14(15)9-11/h8-9,17H,4-7,10H2,1-3H3