[3,4,5-triacetyloxy-6-(6-cyanohexylsulfanyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(6-cyanohexylsulfanyl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(6-cyanohexylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(6-cyanohexylthio)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(6-cyanohexylsulfanyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(6-cyanohexylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H31NO9S MolecularWeight: 473.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCCCCCC#N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCCCCCCC#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H31NO9S/c1-13(23)27-12-17-18(28-14(2)24)19(29-15(3)25)20(30-16(4)26)21(31-17)32-11-9-7-5-6-8-10-22/h17-21H,5-9,11-12H2,1-4H3