methyl 2-[(3R,3aR,6aS)-3a-methyl-6-methylidene-3-oxidanyl-3,4,5,6a-tetrahydropentalen-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(3R,3aR,6aS)-3a-methyl-6-methylidene-3-oxidanyl-3,4,5,6a-tetrahydropentalen-1-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(3R,3aR,6aS)-3-hydroxy-3a-methyl-6-methylene-3,4,5,6a-tetrahydropentalen-1-yl]-2-oxo-acetate CAS Name: 2-[(3R,3aR,6aS)-3-hydroxy-3a-methyl-6-methylene-3,4,5,6a-tetrahydropentalen-1-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(3R,3aR,6aS)-3-hydroxy-3a-methyl-6-methylidene-3,4,5,6a-tetrahydropentalen-1-yl]-2-oxoacetate Traditional Name: 2-[(3R,3aR,6aS)-3-hydroxy-3a-methyl-6-methylene-3,4,5,6a-tetrahydropentalen-1-yl]-2-keto-acetic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=C)C1C(=CC2O)C(=O)C(=O)OC

Isomeric SMILES

C[C@@]12CCC(=C)[C@@H]1C(=C[C@H]2O)C(=O)C(=O)OC

InChI

InChI=1S/C13H16O4/c1-7-4-5-13(2)9(14)6-8(10(7)13)11(15)12(16)17-3/h6,9-10,14H,1,4-5H2,2-3H3/t9-,10-,13+/m1/s1