methyl 2-[(1S,3aS,6aS)-3a-methyl-6a-oxidanyl-4-oxidanylidene-2,3,5,6-tetrahydro-1H-pentalen-1-yl]ethanoate

Systemtic Name: methyl 2-[(1S,3aS,6aS)-3a-methyl-6a-oxidanyl-4-oxidanylidene-2,3,5,6-tetrahydro-1H-pentalen-1-yl]ethanoate Openeye Name: methyl 2-[(1S,3aS,6aS)-6a-hydroxy-3a-methyl-4-oxo-2,3,5,6-tetrahydro-1H-pentalen-1-yl]acetate CAS Name: 2-[(1S,3aS,6aS)-6a-hydroxy-3a-methyl-4-oxo-2,3,5,6-tetrahydro-1H-pentalen-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,3aS,6aS)-6a-hydroxy-3a-methyl-4-oxo-2,3,5,6-tetrahydro-1H-pentalen-1-yl]acetate Traditional Name: 2-[(1S,3aS,6aS)-6a-hydroxy-4-keto-3a-methyl-2,3,5,6-tetrahydro-1H-pentalen-1-yl]acetic acid methyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C1(CCC2=O)O)CC(=O)OC

Isomeric SMILES

C[C@]12CC[C@H]([C@]1(CCC2=O)O)CC(=O)OC

InChI

InChI=1S/C12H18O4/c1-11-5-3-8(7-10(14)16-2)12(11,15)6-4-9(11)13/h8,15H,3-7H2,1-2H3/t8-,11+,12-/m0/s1