methyl (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

Systemtic Name: methyl (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Openeye Name: methyl (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate CAS Name: (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Traditional Name: (4aR,8aS)-3,3-dimethyl-1,4,4a,7,8,8a-hexahydroisochromene-8-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C=CCC(C2CO1)C(=O)OC)C

Isomeric SMILES

CC1(C[C@@H]2C=CCC([C@H]2CO1)C(=O)OC)C

InChI

InChI=1S/C13H20O3/c1-13(2)7-9-5-4-6-10(12(14)15-3)11(9)8-16-13/h4-5,9-11H,6-8H2,1-3H3/t9-,10?,11-/m0/s1