4-ethynyl-1-(2-methylhexyl)-2-nitro-benzene

Systemtic Name: 4-ethynyl-1-(2-methylhexyl)-2-nitro-benzene Openeye Name: 4-ethynyl-1-(2-methylhexyl)-2-nitro-benzene CAS Name: 4-ethynyl-1-(2-methylhexyl)-2-nitrobenzene IUPAC Name: 4-ethynyl-1-(2-methylhexyl)-2-nitrobenzene Traditional Name: 4-ethynyl-1-(2-methylhexyl)-2-nitro-benzene Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)CC1=C(C=C(C=C1)C#C)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO2/c1-4-6-7-12(3)10-14-9-8-13(5-2)11-15(14)16(17)18/h2,8-9,11-12H,4,6-7,10H2,1,3H3