2-(phenylsulfonyl)-8-thiophen-2-yl-octanoic acid

Systemtic Name: 2-(phenylsulfonyl)-8-thiophen-2-yl-octanoic acid Openeye Name: 2-(benzenesulfonyl)-8-(2-thienyl)octanoic acid CAS Name: 2-(benzenesulfonyl)-8-thiophen-2-yloctanoic acid IUPAC Name: 2-(benzenesulfonyl)-8-thiophen-2-yloctanoic acid Traditional Name: 2-besyl-8-(2-thienyl)caprylic acid Formula: C18H22O4S2 MolecularWeight: 366.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C18H22O4S2/c19-18(20)17(24(21,22)16-11-5-3-6-12-16)13-7-2-1-4-9-15-10-8-14-23-15/h3,5-6,8,10-12,14,17H,1-2,4,7,9,13H2,(H,19,20)