[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl cyclopropanecarboxylate

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl cyclopropanecarboxylate Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]methyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-nitro-4-(p-tolylthio)benzyl] ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S/c1-12-2-7-15(8-3-12)24-17-9-4-13(10-16(17)19(21)22)11-23-18(20)14-5-6-14/h2-4,7-10,14H,5-6,11H2,1H3