ethyl 2-[2-(2-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate

Systemtic Name: ethyl 2-[2-(2-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate Openeye Name: ethyl 2-[2-(2-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyphenyl)-2-nitroethyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methoxyphenyl)-2-nitroethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-methoxyphenyl)-2-nitro-ethyl]thio]benzoic acid ethyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SCC(C2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SCC(C2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-3-24-18(20)14-9-5-7-11-17(14)25-12-15(19(21)22)13-8-4-6-10-16(13)23-2/h4-11,15H,3,12H2,1-2H3