[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-ethylsulfanyl-2,4-dinitro-phenyl)sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-ethylsulfanyl-2,4-dinitro-phenyl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(5-ethylsulfanyl-2,4-dinitro-phenyl)sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-(ethylthio)-2,4-dinitrophenyl]thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-ethylsulfanyl-2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[[5-(ethylthio)-2,4-dinitro-phenyl]thio]tetrahydropyran-2-yl]methyl ester Formula: C22H26N2O13S2 MolecularWeight: 590.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C(=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C(=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O13S2/c1-6-38-17-8-18(15(24(31)32)7-14(17)23(29)30)39-22-21(36-13(5)28)20(35-12(4)27)19(34-11(3)26)16(37-22)9-33-10(2)25/h7-8,16,19-22H,6,9H2,1-5H3/t16-,19+,20+,21-,22+/m1/s1