1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene

Systemtic Name: 1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene Openeye Name: 1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene CAS Name: 1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene IUPAC Name: 1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene Traditional Name: 1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H25NO3/c1-2-3-4-5-6-9-20-28-24-18-14-22(15-19-24)11-8-7-10-21-12-16-23(17-13-21)25(26)27/h12-19H,2-6,9,20H2,1H3