[(2S,4R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-hex-5-yn-2-yl] 4-nitrobenzoate

Systemtic Name: [(2S,4R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-hex-5-yn-2-yl] 4-nitrobenzoate Openeye Name: [(1S,3R)-3-benzyloxy-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-ynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,4R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyhex-5-yn-2-yl] ester IUPAC Name: [(2S,4R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyhex-5-yn-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3R)-3-benzoxy-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-ynyl] ester Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CC(CC(C#C)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC[C@@H](O1)C[C@H](C[C@H](C#C)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H27NO7/c1-4-21(30-16-18-8-6-5-7-9-18)14-22(15-23-17-31-25(2,3)33-23)32-24(27)19-10-12-20(13-11-19)26(28)29/h1,5-13,21-23H,14-17H2,2-3H3/t21-,22-,23-/m0/s1