3-[4-[3-(4-chloranyl-2-cyclohexyl-phenoxy)-5-nitro-phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-chloranyl-2-cyclohexyl-phenoxy)-5-nitro-phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-chloro-2-cyclohexyl-phenoxy)-5-nitro-phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-chloro-2-cyclohexyl-phenoxy)-5-nitro-phenoxy]phenyl]propionic acid Formula: C27H26ClNO6 MolecularWeight: 495.95144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=CC(=C2)Cl)OC3=CC(=CC(=C3)OC4=CC=C(C=C4)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=C(C=CC(=C2)Cl)OC3=CC(=CC(=C3)OC4=CC=C(C=C4)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H26ClNO6/c28-20-9-12-26(25(14-20)19-4-2-1-3-5-19)35-24-16-21(29(32)33)15-23(17-24)34-22-10-6-18(7-11-22)8-13-27(30)31/h6-7,9-12,14-17,19H,1-5,8,13H2,(H,30,31)