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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-4-8(10)7(2)5-6-9(11)12-3/h5-8,10H,4H2,1-3H3/b6-5+/t7-,8+/m0/s1