2-(2-methylphenoxy)ethyl 4-methylsulfanyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S/c1-12-5-3-4-6-15(12)22-9-10-23-17(19)13-7-8-16(24-2)14(11-13)18(20)21/h3-8,11H,9-10H2,1-2H3