methyl 3-[2-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate Openeye Name: methyl 3-[2-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate CAS Name: 3-[[2-[(4-nitrophenyl)thio]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-nitrophenyl)sulfanylpropanoyloxymethyl]benzoate Traditional Name: 3-[2-[(4-nitrophenyl)thio]propanoyloxymethyl]benzoic acid methyl ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC(=C1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC=CC(=C1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-12(26-16-8-6-15(7-9-16)19(22)23)17(20)25-11-13-4-3-5-14(10-13)18(21)24-2/h3-10,12H,11H2,1-2H3