methyl (1S,2S,4R,5S)-5-(hydroxymethyl)-2-methyl-4-oxidanyl-cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2S,4R,5S)-5-(hydroxymethyl)-2-methyl-4-oxidanyl-cycloheptane-1-carboxylate Openeye Name: methyl (1S,2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-methyl-cycloheptanecarboxylate CAS Name: (1S,2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-methyl-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-methylcycloheptane-1-carboxylate Traditional Name: (1S,2S,4R,5S)-4-hydroxy-2-methyl-5-methylol-cycloheptanecarboxylic acid methyl ester Formula: C11H20O4 MolecularWeight: 216.2741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CCC1C(=O)OC)CO)O

Isomeric SMILES

C[C@H]1C[C@H]([C@@H](CC[C@@H]1C(=O)OC)CO)O

InChI

InChI=1S/C11H20O4/c1-7-5-10(13)8(6-12)3-4-9(7)11(14)15-2/h7-10,12-13H,3-6H2,1-2H3/t7-,8-,9-,10+/m0/s1