methyl (E,4S,5R)-4,6-dimethyl-5-oxidanyl-hept-2-enoate

Systemtic Name: methyl (E,4S,5R)-4,6-dimethyl-5-oxidanyl-hept-2-enoate Openeye Name: methyl (E,4S,5R)-5-hydroxy-4,6-dimethyl-hept-2-enoate CAS Name: (E,4S,5R)-5-hydroxy-4,6-dimethyl-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4S,5R)-5-hydroxy-4,6-dimethylhept-2-enoate Traditional Name: (E,4S,5R)-5-hydroxy-4,6-dimethyl-hept-2-enoic acid methyl ester Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O3/c1-7(2)10(12)8(3)5-6-9(11)13-4/h5-8,10,12H,1-4H3/b6-5+/t8-,10+/m0/s1