4-butoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: 4-butoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 3-besyl-4-butoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid Formula: C19H20O7S2 MolecularWeight: 424.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20O7S2/c1-2-3-11-26-18-14(19(20)21)9-10-15-17(18)16(12-27(15,22)23)28(24,25)13-7-5-4-6-8-13/h4-10,16H,2-3,11-12H2,1H3,(H,20,21)