methyl (E,6S)-6-oxidanyl-6-[(1S)-2-oxidanylidenecyclohexyl]hex-2-enoate

Systemtic Name: methyl (E,6S)-6-oxidanyl-6-[(1S)-2-oxidanylidenecyclohexyl]hex-2-enoate Openeye Name: methyl (E,6S)-6-hydroxy-6-[(1S)-2-oxocyclohexyl]hex-2-enoate CAS Name: (E,6S)-6-hydroxy-6-[(1S)-2-oxocyclohexyl]-2-hexenoic acid methyl ester IUPAC Name: methyl (E,6S)-6-hydroxy-6-[(1S)-2-oxocyclohexyl]hex-2-enoate Traditional Name: (E,6S)-6-hydroxy-6-[(1S)-2-ketocyclohexyl]hex-2-enoic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC(C1CCCCC1=O)O

Isomeric SMILES

COC(=O)/C=C/CC[C@@H]([C@@H]1CCCCC1=O)O

InChI

InChI=1S/C13H20O4/c1-17-13(16)9-5-4-8-12(15)10-6-2-3-7-11(10)14/h5,9-10,12,15H,2-4,6-8H2,1H3/b9-5+/t10-,12+/m1/s1