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

Systemtic Name: 8-(5-chloranylthiophen-2-yl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(5-chloro-2-thienyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(5-chloro-2-thiophenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(5-chloro-2-thienyl)-2-tosyl-caprylic acid Formula: C19H23ClO4S2 MolecularWeight: 414.96652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClO4S2/c1-14-8-11-16(12-9-14)26(23,24)17(19(21)22)7-5-3-2-4-6-15-10-13-18(20)25-15/h8-13,17H,2-7H2,1H3,(H,21,22)