2-[4-(5-chloranylthiophen-2-yl)phenyl]sulfonyloctanoic acid

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)phenyl]sulfonyloctanoic acid Openeye Name: 2-[4-(5-chloro-2-thienyl)phenyl]sulfonyloctanoic acid CAS Name: 2-[4-(5-chloro-2-thiophenyl)phenyl]sulfonyloctanoic acid IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)phenyl]sulfonyloctanoic acid Traditional Name: 2-[4-(5-chloro-2-thienyl)phenyl]sulfonylcaprylic acid Formula: C18H21ClO4S2 MolecularWeight: 400.93994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(S2)Cl

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H21ClO4S2/c1-2-3-4-5-6-16(18(20)21)25(22,23)14-9-7-13(8-10-14)15-11-12-17(19)24-15/h7-12,16H,2-6H2,1H3,(H,20,21)