8-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-(2-thienylsulfonyl)octanoic acid CAS Name: 8-(4-chlorophenyl)-2-thiophen-2-ylsulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-thiophen-2-ylsulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-2-(2-thienylsulfonyl)caprylic acid Formula: C18H21ClO4S2 MolecularWeight: 400.93994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H21ClO4S2/c19-15-11-9-14(10-12-15)6-3-1-2-4-7-16(18(20)21)25(22,23)17-8-5-13-24-17/h5,8-13,16H,1-4,6-7H2,(H,20,21)