2-[(E)-[3,5-bis(bromanyl)-4-[3-(4-methylphenyl)sulfonyl-4-oxidanyl-phenoxy]phenyl]methylideneamino]oxypropanoic acid

Systemtic Name: 2-[(E)-[3,5-bis(bromanyl)-4-[3-(4-methylphenyl)sulfonyl-4-oxidanyl-phenoxy]phenyl]methylideneamino]oxypropanoic acid Openeye Name: 2-[(E)-[3,5-dibromo-4-[4-hydroxy-3-(p-tolylsulfonyl)phenoxy]phenyl]methyleneamino]oxypropanoic acid CAS Name: 2-[(E)-[3,5-dibromo-4-[4-hydroxy-3-(4-methylphenyl)sulfonylphenoxy]phenyl]methylideneamino]oxypropanoic acid IUPAC Name: 2-[(E)-[3,5-dibromo-4-[4-hydroxy-3-(4-methylphenyl)sulfonylphenoxy]phenyl]methylideneamino]oxypropanoic acid Traditional Name: 2-[(E)-[3,5-dibromo-4-(4-hydroxy-3-tosyl-phenoxy)benzylidene]amino]oxypropionic acid Formula: C23H19Br2NO7S MolecularWeight: 613.27246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)C=NOC(C)C(=O)O)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)/C=N/OC(C)C(=O)O)Br)O

InChI

InChI=1S/C23H19Br2NO7S/c1-13-3-6-17(7-4-13)34(30,31)21-11-16(5-8-20(21)27)32-22-18(24)9-15(10-19(22)25)12-26-33-14(2)23(28)29/h3-12,14,27H,1-2H3,(H,28,29)/b26-12+