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

Systemtic Name: ethyl (3S,3aR)-2,2-dimethyl-3-oxidanyl-3a,4,5,6-tetrahydro-3H-pentalene-1-carboxylate Openeye Name: ethyl (3S,3aR)-3-hydroxy-2,2-dimethyl-3a,4,5,6-tetrahydro-3H-pentalene-1-carboxylate CAS Name: (3S,3aR)-3-hydroxy-2,2-dimethyl-3a,4,5,6-tetrahydro-3H-pentalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aR)-3-hydroxy-2,2-dimethyl-3a,4,5,6-tetrahydro-3H-pentalene-1-carboxylate Traditional Name: (3S,3aR)-3-hydroxy-2,2-dimethyl-3a,4,5,6-tetrahydro-3H-pentalene-1-carboxylic acid ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC2C(C1(C)C)O

Isomeric SMILES

CCOC(=O)C1=C2CCC[C@H]2[C@@H](C1(C)C)O

InChI

InChI=1S/C13H20O3/c1-4-16-12(15)10-8-6-5-7-9(8)11(14)13(10,2)3/h9,11,14H,4-7H2,1-3H3/t9-,11+/m1/s1