1-(6-oxidanyl-2,3,4,5-tetrahydrothiepin-7-yl)ethanone

Systemtic Name: 1-(6-oxidanyl-2,3,4,5-tetrahydrothiepin-7-yl)ethanone Openeye Name: 1-(6-hydroxy-2,3,4,5-tetrahydrothiepin-7-yl)ethanone CAS Name: 1-(6-hydroxy-2,3,4,5-tetrahydrothiepin-7-yl)ethanone IUPAC Name: 1-(6-hydroxy-2,3,4,5-tetrahydrothiepin-7-yl)ethanone Traditional Name: 1-(6-hydroxy-2,3,4,5-tetrahydrothiepin-7-yl)ethanone Formula: C8H12O2S MolecularWeight: 172.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CCCCS1)O

Isomeric SMILES

CC(=O)C1=C(CCCCS1)O

InChI

InChI=1S/C8H12O2S/c1-6(9)8-7(10)4-2-3-5-11-8/h10H,2-5H2,1H3