methyl 2-[4-(chloromethyl)-2-nitro-phenyl]sulfanyloxybenzoate

Systemtic Name: methyl 2-[4-(chloromethyl)-2-nitro-phenyl]sulfanyloxybenzoate Openeye Name: methyl 2-[4-(chloromethyl)-2-nitro-phenyl]sulfanyloxybenzoate CAS Name: 2-[[4-(chloromethyl)-2-nitrophenyl]thio]oxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-(chloromethyl)-2-nitrophenyl]sulfanyloxybenzoate Traditional Name: 2-[[4-(chloromethyl)-2-nitro-phenyl]thio]oxybenzoic acid methyl ester Formula: C15H12ClNO5S MolecularWeight: 353.77748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OSC2=C(C=C(C=C2)CCl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1OSC2=C(C=C(C=C2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO5S/c1-21-15(18)11-4-2-3-5-13(11)22-23-14-7-6-10(9-16)8-12(14)17(19)20/h2-8H,9H2,1H3