(2E)-3-chloranyl-3-[3-chloranyl-4-(3-ethylsulfonyl-4-oxidanyl-phenoxy)phenyl]-2-diazanylidene-propanoic acid

Systemtic Name: (2E)-3-chloranyl-3-[3-chloranyl-4-(3-ethylsulfonyl-4-oxidanyl-phenoxy)phenyl]-2-diazanylidene-propanoic acid Openeye Name: (2E)-3-chloro-3-[3-chloro-4-(3-ethylsulfonyl-4-hydroxy-phenoxy)phenyl]-2-hydrazinylidene-propanoic acid CAS Name: (2E)-3-chloro-3-[3-chloro-4-(3-ethylsulfonyl-4-hydroxyphenoxy)phenyl]-2-hydrazinylidenepropanoic acid IUPAC Name: (2E)-3-chloro-3-[3-chloro-4-(3-ethylsulfonyl-4-hydroxyphenoxy)phenyl]-2-hydrazinylidenepropanoic acid Traditional Name: (2E)-3-chloro-3-[3-chloro-4-(3-esyl-4-hydroxy-phenoxy)phenyl]-2-hydrazono-propionic acid Formula: C17H16Cl2N2O6S MolecularWeight: 447.28974

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(C(=NN)C(=O)O)Cl)Cl)O

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(/C(=N/N)/C(=O)O)Cl)Cl)O

InChI

InChI=1S/C17H16Cl2N2O6S/c1-2-28(25,26)14-8-10(4-5-12(14)22)27-13-6-3-9(7-11(13)18)15(19)16(21-20)17(23)24/h3-8,15,22H,2,20H2,1H3,(H,23,24)/b21-16-