2-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoic acid IUPAC Name: 2-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO7S/c1-24-13-8-11(9-14(25-2)17(13)26-3)16(10-19(22)23)27-15-7-5-4-6-12(15)18(20)21/h4-9,16H,10H2,1-3H3,(H,20,21)