[(3R)-4-phenylhexan-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(3R)-4-phenylhexan-3-yl] 3,5-dinitrobenzoate Openeye Name: [(1R)-1-ethyl-2-phenyl-butyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(3R)-4-phenylhexan-3-yl] ester IUPAC Name: [(3R)-4-phenylhexan-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-1-ethyl-2-phenyl-butyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(CC)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(CC)C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-3-17(13-8-6-5-7-9-13)18(4-2)27-19(22)14-10-15(20(23)24)12-16(11-14)21(25)26/h5-12,17-18H,3-4H2,1-2H3/t17?,18-/m1/s1