8-[[4-chloranyl-3-(2,4-dichlorophenyl)carbonyl-phenyl]sulfonylamino]octanoic acid

Systemtic Name: 8-[[4-chloranyl-3-(2,4-dichlorophenyl)carbonyl-phenyl]sulfonylamino]octanoic acid Openeye Name: 8-[[4-chloro-3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]octanoic acid CAS Name: 8-[[4-chloro-3-[(2,4-dichlorophenyl)-oxomethyl]phenyl]sulfonylamino]octanoic acid IUPAC Name: 8-[[4-chloro-3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 8-[[4-chloro-3-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]caprylic acid Formula: C21H22Cl3NO5S MolecularWeight: 506.82708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCCCCCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCCCCCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C21H22Cl3NO5S/c22-14-7-9-16(19(24)12-14)21(28)17-13-15(8-10-18(17)23)31(29,30)25-11-5-3-1-2-4-6-20(26)27/h7-10,12-13,25H,1-6,11H2,(H,26,27)