2-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate

Systemtic Name: 2-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate Openeye Name: 2-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate CAS Name: 2-[[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]thio]benzoate IUPAC Name: 2-[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]thio]benzoate Formula: C16H14NO5S- MolecularWeight: 332.35106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](C[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-22-12-6-4-5-11(9-12)15(10-17(20)21)23-14-8-3-2-7-13(14)16(18)19/h2-9,15H,10H2,1H3,(H,18,19)/p-1/t15-/m0/s1