4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid Formula: C34H35NO5 MolecularWeight: 537.6454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C34H35NO5/c1-3-4-5-6-7-8-9-10-23-40-32-21-15-28(16-22-32)13-19-30-25-33(35(38)39)31(24-26(30)2)20-14-27-11-17-29(18-12-27)34(36)37/h11-12,15-18,21-22,24-25H,3-10,23H2,1-2H3,(H,36,37)