(3S,5S,7S)-3,5,7-trimethyl-5-oxidanyl-oxepan-2-one

Systemtic Name: (3S,5S,7S)-3,5,7-trimethyl-5-oxidanyl-oxepan-2-one Openeye Name: (3S,5S,7S)-5-hydroxy-3,5,7-trimethyl-oxepan-2-one CAS Name: (3S,5S,7S)-5-hydroxy-3,5,7-trimethyl-2-oxepanone IUPAC Name: (3S,5S,7S)-5-hydroxy-3,5,7-trimethyloxepan-2-one Traditional Name: (3S,5S,7S)-5-hydroxy-3,5,7-trimethyl-oxepan-2-one Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(OC1=O)C)(C)O

Isomeric SMILES

C[C@H]1C[C@](C[C@@H](OC1=O)C)(C)O

InChI

InChI=1S/C9H16O3/c1-6-4-9(3,11)5-7(2)12-8(6)10/h6-7,11H,4-5H2,1-3H3/t6-,7-,9-/m0/s1