2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]acetic acid IUPAC Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylacetic acid Traditional Name: 2-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-17-9-4-2-8(3-5-9)10(6-12(15)16)18-7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)