3-[[3-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-nitro-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[3-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-nitro-phenoxy]methyl]benzoic acid Openeye Name: 3-[[3-[4-hydroxy-1-(o-tolyl)-4-oxo-butoxy]-4-nitro-phenoxy]methyl]benzoic acid CAS Name: 3-[[3-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-nitrophenoxy]methyl]benzoic acid IUPAC Name: 3-[[3-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-nitrophenoxy]methyl]benzoic acid Traditional Name: 3-[[3-[4-hydroxy-4-keto-1-(o-tolyl)butoxy]-4-nitro-phenoxy]methyl]benzoic acid Formula: C25H23NO8 MolecularWeight: 465.45202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H23NO8/c1-16-5-2-3-8-20(16)22(11-12-24(27)28)34-23-14-19(9-10-21(23)26(31)32)33-15-17-6-4-7-18(13-17)25(29)30/h2-10,13-14,22H,11-12,15H2,1H3,(H,27,28)(H,29,30)