1-[[(3S)-3,7-dimethyloctan-3-yl]oxymethyl]-4-nitro-benzene

Systemtic Name: 1-[[(3S)-3,7-dimethyloctan-3-yl]oxymethyl]-4-nitro-benzene Openeye Name: 1-[[(1S)-1-ethyl-1,5-dimethyl-hexoxy]methyl]-4-nitro-benzene CAS Name: 1-[[(3S)-3,7-dimethyloctan-3-yl]oxymethyl]-4-nitrobenzene IUPAC Name: 1-[[(3S)-3,7-dimethyloctan-3-yl]oxymethyl]-4-nitrobenzene Traditional Name: 1-[[(1S)-1-ethyl-1,5-dimethyl-hexoxy]methyl]-4-nitro-benzene Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCCC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC[C@@](C)(CCCC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H27NO3/c1-5-17(4,12-6-7-14(2)3)21-13-15-8-10-16(11-9-15)18(19)20/h8-11,14H,5-7,12-13H2,1-4H3/t17-/m0/s1