methyl (3aS,6aR)-3-acetyloxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylate

Systemtic Name: methyl (3aS,6aR)-3-acetyloxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylate Openeye Name: methyl (3aS,6aR)-3-acetoxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylate CAS Name: (3aS,6aR)-3-acetyloxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aR)-3-acetyloxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylate Traditional Name: (3aS,6aR)-3-acetoxy-3-methyl-2,3a,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC(C2C1C=CC2)C(=O)OC)C

Isomeric SMILES

CC(=O)OC1(CC([C@H]2[C@@H]1C=CC2)C(=O)OC)C

InChI

InChI=1S/C13H18O4/c1-8(14)17-13(2)7-10(12(15)16-3)9-5-4-6-11(9)13/h4,6,9-11H,5,7H2,1-3H3/t9-,10?,11-,13?/m0/s1