methyl (E,4S,5R)-4,5-dimethyl-7-oxidanyl-hept-2-enoate

Systemtic Name: methyl (E,4S,5R)-4,5-dimethyl-7-oxidanyl-hept-2-enoate Openeye Name: methyl (E,4S,5R)-7-hydroxy-4,5-dimethyl-hept-2-enoate CAS Name: (E,4S,5R)-7-hydroxy-4,5-dimethyl-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4S,5R)-7-hydroxy-4,5-dimethylhept-2-enoate Traditional Name: (E,4S,5R)-7-hydroxy-4,5-dimethyl-hept-2-enoic acid methyl ester Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O3/c1-8(9(2)6-7-11)4-5-10(12)13-3/h4-5,8-9,11H,6-7H2,1-3H3/b5-4+/t8-,9-/m1/s1