3-(butylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(butylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(butylsulfonylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(butylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(butylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(butylsulfonylmethyl)benzothiophene-2-carboxylic acid Formula: C14H16O4S2 MolecularWeight: 312.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16O4S2/c1-2-3-8-20(17,18)9-11-10-6-4-5-7-12(10)19-13(11)14(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)