(4-acetyloxy-4-ethynyl-hex-5-ynyl) 4-nitrobenzoate

Systemtic Name: (4-acetyloxy-4-ethynyl-hex-5-ynyl) 4-nitrobenzoate Openeye Name: (4-acetoxy-4-ethynyl-hex-5-ynyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-acetyloxy-4-ethynylhex-5-ynyl) ester IUPAC Name: (4-acetyloxy-4-ethynylhex-5-ynyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-acetoxy-4-ethynyl-hex-5-ynyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C#C)C#C

Isomeric SMILES

CC(=O)OC(CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C#C)C#C

InChI

InChI=1S/C17H15NO6/c1-4-17(5-2,24-13(3)19)11-6-12-23-16(20)14-7-9-15(10-8-14)18(21)22/h1-2,7-10H,6,11-12H2,3H3