ethyl 4-[3-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate

Systemtic Name: ethyl 4-[3-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate Openeye Name: ethyl 4-[3-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate CAS Name: 4-[[3-[(4-nitrophenyl)thio]-1-oxopropoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate Traditional Name: 4-[3-[(4-nitrophenyl)thio]propanoyloxymethyl]benzoic acid ethyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-2-25-19(22)15-5-3-14(4-6-15)13-26-18(21)11-12-27-17-9-7-16(8-10-17)20(23)24/h3-10H,2,11-13H2,1H3