(4,5-dimethoxy-2-methyl-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H19NO6S/c1-11-7-15(23-2)16(24-3)9-13(11)10-25-18(20)12-5-6-17(26-4)14(8-12)19(21)22/h5-9H,10H2,1-4H3