2-[4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylthio]phenoxy]acetic acid Formula: C16H15ClN2O7S2 MolecularWeight: 446.8825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)O)SCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)O)SCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O7S2/c17-14-6-5-13(9-15(14)19(22)23)28(24,25)18-7-8-27-12-3-1-11(2-4-12)26-10-16(20)21/h1-6,9,18H,7-8,10H2,(H,20,21)