[(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,5R)-5-(hydroxymethyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,5R)-5-methylolcyclohex-2-en-1-yl] ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1CO)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C=C[C@@H](C[C@@H]1CO)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7/c17-8-9-2-1-3-13(4-9)23-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h1,3,5-7,9,13,17H,2,4,8H2/t9-,13+/m1/s1