(2-ethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-ethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-ethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-ethoxybenzyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

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