(3S,4R,6S)-6-ethyl-3,4-dimethyl-3-(methylsulfanylmethoxy)oxepane-2,7-dione

Systemtic Name: (3S,4R,6S)-6-ethyl-3,4-dimethyl-3-(methylsulfanylmethoxy)oxepane-2,7-dione Openeye Name: (3S,4R,6S)-6-ethyl-3,4-dimethyl-3-(methylsulfanylmethoxy)oxepane-2,7-dione CAS Name: (3S,4R,6S)-6-ethyl-3,4-dimethyl-3-[(methylthio)methoxy]oxepane-2,7-dione IUPAC Name: (3S,4R,6S)-6-ethyl-3,4-dimethyl-3-(methylsulfanylmethoxy)oxepane-2,7-dione Traditional Name: (3S,4R,6S)-6-ethyl-3,4-dimethyl-3-[(methylthio)methoxy]oxepane-2,7-quinone Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C(=O)OC1=O)(C)OCSC)C

Isomeric SMILES

CC[C@H]1C[C@H]([C@](C(=O)OC1=O)(C)OCSC)C

InChI

InChI=1S/C12H20O4S/c1-5-9-6-8(2)12(3,15-7-17-4)11(14)16-10(9)13/h8-9H,5-7H2,1-4H3/t8-,9+,12+/m1/s1