methyl (1S,3aR,6aS)-1-ethenyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate

Systemtic Name: methyl (1S,3aR,6aS)-1-ethenyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Openeye Name: methyl (1S,3aR,6aS)-6a-hydroxy-1-vinyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate CAS Name: (1S,3aR,6aS)-1-ethenyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aR,6aS)-1-ethenyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Traditional Name: (1S,3aR,6aS)-6a-hydroxy-1-vinyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCCC1(C(CC2)C=C)O

Isomeric SMILES

COC(=O)[C@@]12CCC[C@@]1([C@@H](CC2)C=C)O

InChI

InChI=1S/C12H18O3/c1-3-9-5-8-11(10(13)15-2)6-4-7-12(9,11)14/h3,9,14H,1,4-8H2,2H3/t9-,11+,12+/m1/s1