[(2S,5R)-7-methyl-6-methylidene-7-oxidanyl-5-[(R)-oxidanyl(phenyl)methyl]octan-2-yl] methanesulfonate

Systemtic Name: [(2S,5R)-7-methyl-6-methylidene-7-oxidanyl-5-[(R)-oxidanyl(phenyl)methyl]octan-2-yl] methanesulfonate Openeye Name: [(1S,4R)-6-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-1,6-dimethyl-5-methylene-heptyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,5R)-7-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-7-methyl-6-methyleneoctan-2-yl] ester IUPAC Name: [(2S,5R)-7-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-7-methyl-6-methylideneoctan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,4R)-5-(1-hydroxy-1-methyl-ethyl)-4-[(R)-hydroxy(phenyl)methyl]-1-methyl-hex-5-enyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C1=CC=CC=C1)O)C(=C)C(C)(C)O)OS(=O)(=O)C

Isomeric SMILES

C[C@@H](CC[C@@H]([C@H](C1=CC=CC=C1)O)C(=C)C(C)(C)O)OS(=O)(=O)C

InChI

InChI=1S/C18H28O5S/c1-13(23-24(5,21)22)11-12-16(14(2)18(3,4)20)17(19)15-9-7-6-8-10-15/h6-10,13,16-17,19-20H,2,11-12H2,1,3-5H3/t13-,16+,17-/m0/s1