(3,4,5-trimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (3,4,5-trimethoxybenzyl) ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO7S/c1-23-14-7-11(8-15(24-2)17(14)25-3)10-26-18(20)12-5-6-16(27-4)13(9-12)19(21)22/h5-9H,10H2,1-4H3