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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S/c1-11-4-6-15(22-2)13(8-11)10-23-17(19)12-5-7-16(24-3)14(9-12)18(20)21/h4-9H,10H2,1-3H3