2-[1-(4-ethoxyphenyl)-2-nitro-propyl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(4-ethoxyphenyl)-2-nitro-propyl]sulfanylbenzoic acid Openeye Name: 2-[1-(4-ethoxyphenyl)-2-nitro-propyl]sulfanylbenzoic acid CAS Name: 2-[[1-(4-ethoxyphenyl)-2-nitropropyl]thio]benzoic acid IUPAC Name: 2-[1-(4-ethoxyphenyl)-2-nitropropyl]sulfanylbenzoic acid Traditional Name: 2-[(2-nitro-1-p-phenetyl-propyl)thio]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(C)[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C(C)[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO5S/c1-3-24-14-10-8-13(9-11-14)17(12(2)19(22)23)25-16-7-5-4-6-15(16)18(20)21/h4-12,17H,3H2,1-2H3,(H,20,21)