[(3R,4R)-2-methyl-4-phenyl-hex-5-en-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(3R,4R)-2-methyl-4-phenyl-hex-5-en-3-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R)-1-isopropyl-2-phenyl-but-3-enyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(3R,4R)-2-methyl-4-phenylhex-5-en-3-yl] ester IUPAC Name: [(3R,4R)-2-methyl-4-phenylhex-5-en-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R)-1-isopropyl-2-phenyl-but-3-enyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-4-18(14-8-6-5-7-9-14)19(13(2)3)28-20(23)15-10-16(21(24)25)12-17(11-15)22(26)27/h4-13,18-19H,1H2,2-3H3/t18-,19-/m1/s1