methyl (3S)-3-[(3S)-2-oxidanylideneoxepan-3-yl]butanoate

Systemtic Name: methyl (3S)-3-[(3S)-2-oxidanylideneoxepan-3-yl]butanoate Openeye Name: methyl (3S)-3-[(3S)-2-oxooxepan-3-yl]butanoate CAS Name: (3S)-3-[(3S)-2-oxo-3-oxepanyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(3S)-2-oxooxepan-3-yl]butanoate Traditional Name: (3S)-3-[(3S)-2-ketooxepan-3-yl]butyric acid methyl ester Formula: C11H18O4 MolecularWeight: 214.25822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1CCCCOC1=O

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@@H]1CCCCOC1=O

InChI

InChI=1S/C11H18O4/c1-8(7-10(12)14-2)9-5-3-4-6-15-11(9)13/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1