[3,4,5-triacetyloxy-6-(1-nitro-4-oxidanylidene-2-phenyl-pentyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(1-nitro-4-oxidanylidene-2-phenyl-pentyl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(1-nitro-4-oxo-2-phenyl-pentyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(1-nitro-4-oxo-2-phenylpentyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(1-nitro-4-oxo-2-phenylpentyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(4-keto-1-nitro-2-phenyl-pentyl)tetrahydropyran-2-yl]methyl ester Formula: C25H31NO12 MolecularWeight: 537.51314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)C(C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C25H31NO12/c1-13(27)11-19(18-9-7-6-8-10-18)21(26(32)33)23-25(37-17(5)31)24(36-16(4)30)22(35-15(3)29)20(38-23)12-34-14(2)28/h6-10,19-25H,11-12H2,1-5H3