12-[[4-chloranyl-2-(2,4-dichlorophenyl)carbonyl-phenyl]sulfonylamino]dodecanoic acid

Systemtic Name: 12-[[4-chloranyl-2-(2,4-dichlorophenyl)carbonyl-phenyl]sulfonylamino]dodecanoic acid Openeye Name: 12-[[4-chloro-2-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]dodecanoic acid CAS Name: 12-[[4-chloro-2-[(2,4-dichlorophenyl)-oxomethyl]phenyl]sulfonylamino]dodecanoic acid IUPAC Name: 12-[[4-chloro-2-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]dodecanoic acid Traditional Name: 12-[[4-chloro-2-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]lauric acid Formula: C25H30Cl3NO5S MolecularWeight: 562.9334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C25H30Cl3NO5S/c26-18-12-14-23(21(16-18)25(32)20-13-11-19(27)17-22(20)28)35(33,34)29-15-9-7-5-3-1-2-4-6-8-10-24(30)31/h11-14,16-17,29H,1-10,15H2,(H,30,31)