(2S,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-2,6-dimethoxy-5-methyl-hexane-1,4-diol

Systemtic Name: (2S,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-2,6-dimethoxy-5-methyl-hexane-1,4-diol Openeye Name: (2S,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-2,6-dimethoxy-5-methyl-hexane-1,4-diol CAS Name: (2S,5S,6R)-6-(2,5-dimethoxy-3-nitrophenyl)-2,6-dimethoxy-5-methylhexane-1,4-diol IUPAC Name: (2S,5S,6R)-6-(2,5-dimethoxy-3-nitrophenyl)-2,6-dimethoxy-5-methylhexane-1,4-diol Traditional Name: (2S,5S,6R)-6-(2,5-dimethoxy-3-nitro-phenyl)-2,6-dimethoxy-5-methyl-hexane-1,4-diol Formula: C17H27NO8 MolecularWeight: 373.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(CO)OC)O)C(C1=CC(=CC(=C1OC)[N+](=O)[O-])OC)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC(=CC(=C1OC)[N+](=O)[O-])OC)OC)C(C[C@@H](CO)OC)O

InChI

InChI=1S/C17H27NO8/c1-10(15(20)8-12(9-19)24-3)16(25-4)13-6-11(23-2)7-14(18(21)22)17(13)26-5/h6-7,10,12,15-16,19-20H,8-9H2,1-5H3/t10-,12-,15?,16+/m0/s1