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

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoic acid Openeye Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylbenzoic acid Traditional Name: 2-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]benzoic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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