phenylsulfanyl 2-[4-(4-chloranyl-2-nitro-phenoxy)phenoxy]propanoate

Systemtic Name: phenylsulfanyl 2-[4-(4-chloranyl-2-nitro-phenoxy)phenoxy]propanoate Openeye Name: phenylsulfanyl 2-[4-(4-chloro-2-nitro-phenoxy)phenoxy]propanoate CAS Name: 2-[4-(4-chloro-2-nitrophenoxy)phenoxy]propanoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 2-[4-(4-chloro-2-nitrophenoxy)phenoxy]propanoate Traditional Name: 2-[4-(4-chloro-2-nitro-phenoxy)phenoxy]propionic acid (phenylthio) ester Formula: C21H16ClNO6S MolecularWeight: 445.87284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OSC1=CC=CC=C1)OC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OSC1=CC=CC=C1)OC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO6S/c1-14(21(24)29-30-18-5-3-2-4-6-18)27-16-8-10-17(11-9-16)28-20-12-7-15(22)13-19(20)23(25)26/h2-14H,1H3