[(1S,2S,4aR,5R)-4a-methyl-8-methylidene-5-oxidanyl-2-[(2S)-1-oxidanylpropan-2-yl]-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] hydrogen sulfite

Systemtic Name: [(1S,2S,4aR,5R)-4a-methyl-8-methylidene-5-oxidanyl-2-[(2S)-1-oxidanylpropan-2-yl]-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] hydrogen sulfite Openeye Name: [(1S,2S,4aR,5R)-5-hydroxy-2-[(1S)-2-hydroxy-1-methyl-ethyl]-4a-methyl-8-methylene-decalin-1-yl] hydrogen sulfite CAS Name: sulfurous acid [(1S,2S,4aR,5R)-5-hydroxy-2-[(2S)-1-hydroxypropan-2-yl]-4a-methyl-8-methylene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] ester IUPAC Name: [(1S,2S,4aR,5R)-5-hydroxy-2-[(2S)-1-hydroxypropan-2-yl]-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] hydrogen sulfite Traditional Name: sulfurous acid [(1S,2S,4aR,5R)-5-hydroxy-2-[(1S)-2-hydroxy-1-methyl-ethyl]-4a-methyl-8-methylene-decalin-1-yl] ester Formula: C15H26O5S MolecularWeight: 318.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1CCC2(C(CCC(=C)C2C1OS(=O)O)O)C

Isomeric SMILES

C[C@H](CO)[C@@H]1CC[C@]2([C@@H](CCC(=C)C2[C@H]1OS(=O)O)O)C

InChI

InChI=1S/C15H26O5S/c1-9-4-5-12(17)15(3)7-6-11(10(2)8-16)14(13(9)15)20-21(18)19/h10-14,16-17H,1,4-8H2,2-3H3,(H,18,19)/t10-,11+,12-,13?,14+,15+/m1/s1