2-methoxyethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: 2-methoxyethyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid 2-methoxyethyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCCOC)[N+](=O)[O-]

InChI

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