ethyl (3R,3aR)-2,5,5-trimethyl-3-oxidanyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylate

Systemtic Name: ethyl (3R,3aR)-2,5,5-trimethyl-3-oxidanyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylate Openeye Name: ethyl (3R,3aR)-3-hydroxy-2,5,5-trimethyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylate CAS Name: (3R,3aR)-3-hydroxy-2,5,5-trimethyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,3aR)-3-hydroxy-2,5,5-trimethyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylate Traditional Name: (3R,3aR)-3-hydroxy-2,5,5-trimethyl-3,3a,4,6-tetrahydro-2H-pentalene-1-carboxylic acid ethyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC2C(C1C)O)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(C[C@H]2[C@@H](C1C)O)(C)C

InChI

InChI=1S/C14H22O3/c1-5-17-13(16)11-8(2)12(15)10-7-14(3,4)6-9(10)11/h8,10,12,15H,5-7H2,1-4H3/t8?,10-,12-/m1/s1