(2-ethylsulfanyl-6-methyl-5-oxidanyl-3-phenylmethoxy-oxan-4-yl) benzoate

Systemtic Name: (2-ethylsulfanyl-6-methyl-5-oxidanyl-3-phenylmethoxy-oxan-4-yl) benzoate Openeye Name: (3-benzyloxy-2-ethylsulfanyl-5-hydroxy-6-methyl-tetrahydropyran-4-yl) benzoate CAS Name: benzoic acid [2-(ethylthio)-5-hydroxy-6-methyl-3-phenylmethoxy-4-oxanyl] ester IUPAC Name: (2-ethylsulfanyl-5-hydroxy-6-methyl-3-phenylmethoxyoxan-4-yl) benzoate Traditional Name: benzoic acid [3-benzoxy-2-(ethylthio)-5-hydroxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)O)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCSC1C(C(C(C(O1)C)O)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26O5S/c1-3-28-22-20(25-14-16-10-6-4-7-11-16)19(18(23)15(2)26-22)27-21(24)17-12-8-5-9-13-17/h4-13,15,18-20,22-23H,3,14H2,1-2H3