7-methyl-2,3,4,5-tetrahydrothiepine 1,1-dioxide

Systemtic Name: 7-methyl-2,3,4,5-tetrahydrothiepine 1,1-dioxide Openeye Name: 7-methyl-2,3,4,5-tetrahydrothiepine 1,1-dioxide CAS Name: 7-methyl-2,3,4,5-tetrahydrothiepin 1,1-dioxide IUPAC Name: 7-methyl-2,3,4,5-tetrahydrothiepine 1,1-dioxide Traditional Name: 7-methyl-2,3,4,5-tetrahydrothiepin 1,1-dioxide Formula: C7H12O2S MolecularWeight: 160.23398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCCCS1(=O)=O

Isomeric SMILES

CC1=CCCCCS1(=O)=O

InChI

InChI=1S/C7H12O2S/c1-7-5-3-2-4-6-10(7,8)9/h5H,2-4,6H2,1H3