[(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1S)-5-(1,3-dioxolan-2-yl)-1-methyl-pent-2-ynyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] ester IUPAC Name: [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-5-(1,3-dioxolan-2-yl)-1-methyl-pent-2-ynyl] ester Formula: C16H16N2O8 MolecularWeight: 364.30684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCCC1OCCO1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C#CCCC1OCCO1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O8/c1-11(4-2-3-5-15-24-6-7-25-15)26-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h8-11,15H,3,5-7H2,1H3/t11-/m0/s1