[2-oxidanyl-4-[2-(4-oxidanylbutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanyl-4-[2-(4-oxidanylbutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate Openeye Name: [2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl] ester IUPAC Name: [2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-hydroxy-4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butyl] ester Formula: C19H26N2O8S2 MolecularWeight: 474.54834

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCCCO)CCC(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1CSC(SC1)(CCCCO)CCC(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C19H26N2O8S2/c22-7-2-1-5-19(30-8-3-9-31-19)6-4-17(23)13-29-18(24)14-10-15(20(25)26)12-16(11-14)21(27)28/h10-12,17,22-23H,1-9,13H2