2-(4-methylphenyl)sulfonyl-8-(5-methylthiophen-2-yl)octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8-(5-methylthiophen-2-yl)octanoic acid Openeye Name: 8-(5-methyl-2-thienyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-8-(5-methyl-2-thiophenyl)octanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-8-(5-methylthiophen-2-yl)octanoic acid Traditional Name: 8-(5-methyl-2-thienyl)-2-tosyl-caprylic acid Formula: C20H26O4S2 MolecularWeight: 394.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(S2)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(S2)C)C(=O)O

InChI

InChI=1S/C20H26O4S2/c1-15-9-13-18(14-10-15)26(23,24)19(20(21)22)8-6-4-3-5-7-17-12-11-16(2)25-17/h9-14,19H,3-8H2,1-2H3,(H,21,22)