1-[2-(4-hexadecoxyphenyl)ethynyl]-4-nitro-benzene

Systemtic Name: 1-[2-(4-hexadecoxyphenyl)ethynyl]-4-nitro-benzene Openeye Name: 1-[2-(4-hexadecoxyphenyl)ethynyl]-4-nitro-benzene CAS Name: 1-[2-(4-hexadecoxyphenyl)ethynyl]-4-nitrobenzene IUPAC Name: 1-[2-(4-hexadecoxyphenyl)ethynyl]-4-nitrobenzene Traditional Name: 1-[2-(4-cetyloxyphenyl)ethynyl]-4-nitro-benzene Formula: C30H41NO3 MolecularWeight: 463.65144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C30H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-34-30-24-20-28(21-25-30)17-16-27-18-22-29(23-19-27)31(32)33/h18-25H,2-15,26H2,1H3