1-(4-nitrophenyl)hex-2-yne-1,6-diol

Systemtic Name: 1-(4-nitrophenyl)hex-2-yne-1,6-diol Openeye Name: 1-(4-nitrophenyl)hex-2-yne-1,6-diol CAS Name: 1-(4-nitrophenyl)-2-hexyne-1,6-diol IUPAC Name: 1-(4-nitrophenyl)hex-2-yne-1,6-diol Traditional Name: 1-(4-nitrophenyl)hex-2-yne-1,6-diol Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#CCCCO)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C#CCCCO)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c14-9-3-1-2-4-12(15)10-5-7-11(8-6-10)13(16)17/h5-8,12,14-15H,1,3,9H2