7-[2-[3,5-bis(chloranyl)phenoxy]ethyl-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[2-[3,5-bis(chloranyl)phenoxy]ethyl-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[2-(3,5-dichlorophenoxy)ethyl-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[2-(3,5-dichlorophenoxy)ethyl-mesyl-amino]hept-5-ynoic acid Formula: C16H19Cl2NO5S MolecularWeight: 408.29676

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCOC1=CC(=CC(=C1)Cl)Cl)CC#CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCOC1=CC(=CC(=C1)Cl)Cl)CC#CCCCC(=O)O

InChI

InChI=1S/C16H19Cl2NO5S/c1-25(22,23)19(7-5-3-2-4-6-16(20)21)8-9-24-15-11-13(17)10-14(18)12-15/h10-12H,2,4,6-9H2,1H3,(H,20,21)