2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate

Systemtic Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate Openeye Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate CAS Name: 2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-nitroethyl]thio]benzoate IUPAC Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitroethyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]thio]benzoate Formula: C17H16NO6S- MolecularWeight: 362.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-23-13-8-7-11(9-14(13)24-2)16(10-18(21)22)25-15-6-4-3-5-12(15)17(19)20/h3-9,16H,10H2,1-2H3,(H,19,20)/p-1/t16-/m0/s1