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

Systemtic Name: 4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 3-besyl-1,1-diketo-4-octoxy-2,3-dihydrobenzothiophene-5-carboxylic acid Formula: C23H28O7S2 MolecularWeight: 480.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28O7S2/c1-2-3-4-5-6-10-15-30-22-18(23(24)25)13-14-19-21(22)20(16-31(19,26)27)32(28,29)17-11-8-7-9-12-17/h7-9,11-14,20H,2-6,10,15-16H2,1H3,(H,24,25)