(4-propanoylphenyl) 3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoate

Systemtic Name: (4-propanoylphenyl) 3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoate Openeye Name: (4-propanoylphenyl) 3-(2-chloro-4-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]propanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-(2-chloro-4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]propionic acid (4-propionylphenyl) ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClNO5S/c1-2-16(21)12-3-6-14(7-4-12)25-18(22)9-10-26-17-8-5-13(20(23)24)11-15(17)19/h3-8,11H,2,9-10H2,1H3