methyl (3aS,6aS)-2-(bromomethyl)-5,5-dimethyl-3-oxidanylidene-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylate

Systemtic Name: methyl (3aS,6aS)-2-(bromomethyl)-5,5-dimethyl-3-oxidanylidene-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylate Openeye Name: methyl (3aS,6aS)-2-(bromomethyl)-5,5-dimethyl-3-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylate CAS Name: (3aS,6aS)-2-(bromomethyl)-5,5-dimethyl-3-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aS)-2-(bromomethyl)-5,5-dimethyl-3-oxo-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylate Traditional Name: (3aS,6aS)-2-(bromomethyl)-3-keto-5,5-dimethyl-3a,4,6,6a-tetrahydro-1H-pentalene-2-carboxylic acid methyl ester Formula: C13H19BrO3 MolecularWeight: 303.19216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C(=O)C2C1)(CBr)C(=O)OC)C

Isomeric SMILES

CC1(C[C@H]2CC(C(=O)[C@H]2C1)(CBr)C(=O)OC)C

InChI

InChI=1S/C13H19BrO3/c1-12(2)4-8-5-13(7-14,11(16)17-3)10(15)9(8)6-12/h8-9H,4-7H2,1-3H3/t8-,9-,13?/m0/s1