(3R,4S,7S)-3-methyl-4-oxidanyl-7-[(2R)-2-oxidanylbutyl]oxepan-2-one

Systemtic Name: (3R,4S,7S)-3-methyl-4-oxidanyl-7-[(2R)-2-oxidanylbutyl]oxepan-2-one Openeye Name: (3R,4S,7S)-4-hydroxy-7-[(2R)-2-hydroxybutyl]-3-methyl-oxepan-2-one CAS Name: (3R,4S,7S)-4-hydroxy-7-[(2R)-2-hydroxybutyl]-3-methyl-2-oxepanone IUPAC Name: (3R,4S,7S)-4-hydroxy-7-[(2R)-2-hydroxybutyl]-3-methyloxepan-2-one Traditional Name: (3R,4S,7S)-4-hydroxy-7-[(2R)-2-hydroxybutyl]-3-methyl-oxepan-2-one Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCC(C(C(=O)O1)C)O)O

Isomeric SMILES

CC[C@H](C[C@@H]1CC[C@@H]([C@H](C(=O)O1)C)O)O

InChI

InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(13)7(2)11(14)15-9/h7-10,12-13H,3-6H2,1-2H3/t7-,8-,9+,10+/m1/s1