methyl (3S,3aR,6aS)-3-oxidanyl-3,3a,4,6a-tetrahydropentalene-1-carboxylate

Systemtic Name: methyl (3S,3aR,6aS)-3-oxidanyl-3,3a,4,6a-tetrahydropentalene-1-carboxylate Openeye Name: methyl (3S,3aR,6aS)-3-hydroxy-3,3a,4,6a-tetrahydropentalene-1-carboxylate CAS Name: (3S,3aR,6aS)-3-hydroxy-3,3a,4,6a-tetrahydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aR,6aS)-3-hydroxy-3,3a,4,6a-tetrahydropentalene-1-carboxylate Traditional Name: (3S,3aR,6aS)-3-hydroxy-3,3a,4,6a-tetrahydropentalene-1-carboxylic acid methyl ester Formula: C10H12O3 MolecularWeight: 180.20048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C2C1C=CC2)O

Isomeric SMILES

COC(=O)C1=C[C@H]([C@H]2[C@@H]1C=CC2)O

InChI

InChI=1S/C10H12O3/c1-13-10(12)8-5-9(11)7-4-2-3-6(7)8/h2-3,5-7,9,11H,4H2,1H3/t6-,7+,9+/m0/s1