[(3R,6S)-6-ethenyl-3-(phenylmethyl)oxan-3-yl]methyl 3,5-dinitrobenzoate

Systemtic Name: [(3R,6S)-6-ethenyl-3-(phenylmethyl)oxan-3-yl]methyl 3,5-dinitrobenzoate Openeye Name: [(3R,6S)-3-benzyl-6-vinyl-tetrahydropyran-3-yl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(3R,6S)-6-ethenyl-3-(phenylmethyl)-3-oxanyl]methyl ester IUPAC Name: [(3R,6S)-3-benzyl-6-ethenyloxan-3-yl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(3R,6S)-3-benzyl-6-vinyl-tetrahydropyran-3-yl]methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CCC(CO1)(CC2=CC=CC=C2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=C[C@@H]1CC[C@](CO1)(CC2=CC=CC=C2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7/c1-2-20-8-9-22(14-30-20,13-16-6-4-3-5-7-16)15-31-21(25)17-10-18(23(26)27)12-19(11-17)24(28)29/h2-7,10-12,20H,1,8-9,13-15H2/t20-,22-/m1/s1