[5-methyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)-6-(1-phenylmethoxypropan-2-yl)oxan-4-yl] 3,5-dinitrobenzoate

Systemtic Name: [5-methyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)-6-(1-phenylmethoxypropan-2-yl)oxan-4-yl] 3,5-dinitrobenzoate Openeye Name: [5-acetonyl-2-(2-benzyloxy-1-methyl-ethyl)-3-methyl-6-oxo-tetrahydropyran-4-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-methyl-2-oxo-3-(2-oxopropyl)-6-(1-phenylmethoxypropan-2-yl)-4-oxanyl] ester IUPAC Name: [5-methyl-2-oxo-3-(2-oxopropyl)-6-(1-phenylmethoxypropan-2-yl)oxan-4-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-acetonyl-2-(2-benzoxy-1-methyl-ethyl)-6-keto-3-methyl-tetrahydropyran-4-yl] ester Formula: C26H28N2O10 MolecularWeight: 528.50792

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)OC1C(C)COCC2=CC=CC=C2)CC(=O)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C(C(C(=O)OC1C(C)COCC2=CC=CC=C2)CC(=O)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O10/c1-15(13-36-14-18-7-5-4-6-8-18)23-17(3)24(22(9-16(2)29)26(31)37-23)38-25(30)19-10-20(27(32)33)12-21(11-19)28(34)35/h4-8,10-12,15,17,22-24H,9,13-14H2,1-3H3