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

Systemtic Name: 4-hexoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 3-besyl-4-hexoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid Formula: C21H24O7S2 MolecularWeight: 452.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24O7S2/c1-2-3-4-8-13-28-20-16(21(22)23)11-12-17-19(20)18(14-29(17,24)25)30(26,27)15-9-6-5-7-10-15/h5-7,9-12,18H,2-4,8,13-14H2,1H3,(H,22,23)