(2R,3S)-2-[3-ethylsulfanyl-3-ethylsulfinyl-2-oxidanyl-4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]butyl]oxepan-3-ol

Systemtic Name: (2R,3S)-2-[3-ethylsulfanyl-3-ethylsulfinyl-2-oxidanyl-4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]butyl]oxepan-3-ol Openeye Name: (2R,3S)-2-[4-[(2S,3R)-3-benzyloxyoxepan-2-yl]-3-ethylsulfanyl-3-ethylsulfinyl-2-hydroxy-butyl]oxepan-3-ol CAS Name: (2R,3S)-2-[3-ethylsulfinyl-3-(ethylthio)-2-hydroxy-4-[(2S,3R)-3-phenylmethoxy-2-oxepanyl]butyl]-3-oxepanol IUPAC Name: (2R,3S)-2-[3-ethylsulfanyl-3-ethylsulfinyl-2-hydroxy-4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]butyl]oxepan-3-ol Traditional Name: (2R,3S)-2-[4-[(2S,3R)-3-benzoxyoxepan-2-yl]-3-ethylsulfinyl-3-(ethylthio)-2-hydroxy-butyl]oxepan-3-ol Formula: C27H44O6S2 MolecularWeight: 528.76466

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1C(CCCCO1)OCC2=CC=CC=C2)(C(CC3C(CCCCO3)O)O)S(=O)CC

Isomeric SMILES

CCSC(C[C@H]1[C@@H](CCCCO1)OCC2=CC=CC=C2)(C(C[C@@H]3[C@H](CCCCO3)O)O)S(=O)CC

InChI

InChI=1S/C27H44O6S2/c1-3-34-27(35(30)4-2,26(29)18-24-22(28)14-8-10-16-31-24)19-25-23(15-9-11-17-32-25)33-20-21-12-6-5-7-13-21/h5-7,12-13,22-26,28-29H,3-4,8-11,14-20H2,1-2H3/t22-,23+,24+,25-,26?,27?,35?/m0/s1