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

Systemtic Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid Formula: C34H35NO4 MolecularWeight: 521.646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=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

CCCCCCCCCCC1=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/C34H35NO4/c1-3-4-5-6-7-8-9-10-11-27-12-14-28(15-13-27)18-22-31-25-33(35(38)39)32(24-26(31)2)23-19-29-16-20-30(21-17-29)34(36)37/h12-17,20-21,24-25H,3-11H2,1-2H3,(H,36,37)