5-(4,4-dimethylpentylsulfonylmethyl)-1-benzothiophene

Systemtic Name: 5-(4,4-dimethylpentylsulfonylmethyl)-1-benzothiophene Openeye Name: 5-(4,4-dimethylpentylsulfonylmethyl)benzothiophene CAS Name: 5-(4,4-dimethylpentylsulfonylmethyl)-1-benzothiophene IUPAC Name: 5-(4,4-dimethylpentylsulfonylmethyl)-1-benzothiophene Traditional Name: 5-(4,4-dimethylpentylsulfonylmethyl)benzothiophene Formula: C16H22O2S2 MolecularWeight: 310.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCS(=O)(=O)CC1=CC2=C(C=C1)SC=C2

Isomeric SMILES

CC(C)(C)CCCS(=O)(=O)CC1=CC2=C(C=C1)SC=C2

InChI

InChI=1S/C16H22O2S2/c1-16(2,3)8-4-10-20(17,18)12-13-5-6-15-14(11-13)7-9-19-15/h5-7,9,11H,4,8,10,12H2,1-3H3