2-(4-tert-butylphenyl)sulfonyl-8-thiophen-2-yl-octanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8-thiophen-2-yl-octanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8-(2-thienyl)octanoic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8-thiophen-2-yloctanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8-thiophen-2-yloctanoic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8-(2-thienyl)caprylic acid Formula: C22H30O4S2 MolecularWeight: 422.6012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S2/c1-22(2,3)17-12-14-19(15-13-17)28(25,26)20(21(23)24)11-7-5-4-6-9-18-10-8-16-27-18/h8,10,12-16,20H,4-7,9,11H2,1-3H3,(H,23,24)