[4-acetyloxy-6-[bis(ethylsulfanyl)methyl]-5-phenylmethoxy-oxan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-6-[bis(ethylsulfanyl)methyl]-5-phenylmethoxy-oxan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-benzyloxy-6-[bis(ethylsulfanyl)methyl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-6-[bis(ethylthio)methyl]-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [4-acetyloxy-6-[bis(ethylsulfanyl)methyl]-5-phenylmethoxyoxan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-benzoxy-6-[bis(ethylthio)methyl]tetrahydropyran-3-yl] ester Formula: C21H30O6S2 MolecularWeight: 442.5893

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1C(C(C(CO1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)SCC

Isomeric SMILES

CCSC(C1C(C(C(CO1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)SCC

InChI

InChI=1S/C21H30O6S2/c1-5-28-21(29-6-2)20-19(24-12-16-10-8-7-9-11-16)18(27-15(4)23)17(13-25-20)26-14(3)22/h7-11,17-21H,5-6,12-13H2,1-4H3