methyl (E,4S,5R)-5-methyl-4-oxidanyl-hept-2-enoate

Systemtic Name: methyl (E,4S,5R)-5-methyl-4-oxidanyl-hept-2-enoate Openeye Name: methyl (E,4S,5R)-4-hydroxy-5-methyl-hept-2-enoate CAS Name: (E,4S,5R)-4-hydroxy-5-methyl-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4S,5R)-4-hydroxy-5-methylhept-2-enoate Traditional Name: (E,4S,5R)-4-hydroxy-5-methyl-hept-2-enoic acid methyl ester Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=CC(=O)OC)O

Isomeric SMILES

CC[C@@H](C)[C@@H](/C=C/C(=O)OC)O

InChI

InChI=1S/C9H16O3/c1-4-7(2)8(10)5-6-9(11)12-3/h5-8,10H,4H2,1-3H3/b6-5+/t7-,8-/m1/s1