[3,4-diacetyloxy-5-[(2,4-dinitrocyclohexyl)amino]-6-ethanoylsulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[(2,4-dinitrocyclohexyl)amino]-6-ethanoylsulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-6-acetylsulfanyl-5-[(2,4-dinitrocyclohexyl)amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-6-(acetylthio)-5-[(2,4-dinitrocyclohexyl)amino]-2-oxanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-6-acetylsulfanyl-5-[(2,4-dinitrocyclohexyl)amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-6-(acetylthio)-5-[(2,4-dinitrocyclohexyl)amino]tetrahydropyran-2-yl]methyl ester Formula: C20H29N3O12S MolecularWeight: 535.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC(=O)C)NC2CCC(CC2[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SC(=O)C)NC2CCC(CC2[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H29N3O12S/c1-9(24)32-8-16-18(33-10(2)25)19(34-11(3)26)17(20(35-16)36-12(4)27)21-14-6-5-13(22(28)29)7-15(14)23(30)31/h13-21H,5-8H2,1-4H3