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

Systemtic Name: methyl (3aR,4S,5S,6aR)-4-methyl-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate Openeye Name: methyl (3aR,4S,5S,6aR)-5-hydroxy-4-methyl-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate CAS Name: (3aR,4S,5S,6aR)-5-hydroxy-4-methyl-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S,5S,6aR)-5-hydroxy-4-methyl-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate Traditional Name: (3aR,4S,5S,6aR)-5-hydroxy-4-methyl-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylic acid methyl ester Formula: C11H16O3 MolecularWeight: 196.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC=C(C2CC1O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C11H16O3/c1-6-7-3-4-8(11(13)14-2)9(7)5-10(6)12/h4,6-7,9-10,12H,3,5H2,1-2H3/t6-,7-,9+,10-/m0/s1