(1'S,2R,4'R)-2',2',4'-trimethylspiro[1,3-oxathiine-2,3'-bicyclo[2.2.1]heptane]-6-one

Systemtic Name: (1'S,2R,4'R)-2',2',4'-trimethylspiro[1,3-oxathiine-2,3'-bicyclo[2.2.1]heptane]-6-one Openeye Name: (1'R,2R,4'S)-1',3',3'-trimethylspiro[1,3-oxathiine-2,2'-norbornane]-6-one CAS Name: (1'S,2R,4'R)-2',2',4'-trimethyl-6-spiro[1,3-oxathiin-2,3'-bicyclo[2.2.1]heptane]one IUPAC Name: (1'S,2R,4'R)-2',2',4'-trimethylspiro[1,3-oxathiine-2,3'-bicyclo[2.2.1]heptane]-6-one Traditional Name: (1'R,2R,4'S)-1',3',3'-trimethylspiro[1,3-oxathiin-2,2'-norbornane]-6-one Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2)(C13OC(=O)C=CS3)C)C

Isomeric SMILES

C[C@@]12CC[C@@H](C1)C([C@@]23OC(=O)C=CS3)(C)C

InChI

InChI=1S/C13H18O2S/c1-11(2)9-4-6-12(3,8-9)13(11)15-10(14)5-7-16-13/h5,7,9H,4,6,8H2,1-3H3/t9-,12+,13-/m0/s1