3-butyl-7-oxidanyl-3H-2-benzothiophen-1-one

Systemtic Name: 3-butyl-7-oxidanyl-3H-2-benzothiophen-1-one Openeye Name: 3-butyl-7-hydroxy-3H-2-benzothiophen-1-one CAS Name: 3-butyl-7-hydroxy-3H-2-benzothiophen-1-one IUPAC Name: 3-butyl-7-hydroxy-3H-2-benzothiophen-1-one Traditional Name: 3-butyl-7-hydroxy-3H-isobenzothiophen-1-one Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(=CC=C2)O)C(=O)S1

Isomeric SMILES

CCCCC1C2=C(C(=CC=C2)O)C(=O)S1

InChI

InChI=1S/C12H14O2S/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-6,10,13H,2-3,7H2,1H3