2-phenethylsulfonyl-8-thiophen-2-yl-octanoic acid

Systemtic Name: 2-phenethylsulfonyl-8-thiophen-2-yl-octanoic acid Openeye Name: 2-phenethylsulfonyl-8-(2-thienyl)octanoic acid CAS Name: 2-phenethylsulfonyl-8-thiophen-2-yloctanoic acid IUPAC Name: 2-phenethylsulfonyl-8-thiophen-2-yloctanoic acid Traditional Name: 2-phenethylsulfonyl-8-(2-thienyl)caprylic acid Formula: C20H26O4S2 MolecularWeight: 394.54804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O4S2/c21-20(22)19(13-7-2-1-6-11-18-12-8-15-25-18)26(23,24)16-14-17-9-4-3-5-10-17/h3-5,8-10,12,15,19H,1-2,6-7,11,13-14,16H2,(H,21,22)