ethyl (3aR,7aS)-6-bromanyl-2,2,3a-trimethyl-7a-oxidanyl-1,3-dihydroindene-5-carboxylate

Systemtic Name: ethyl (3aR,7aS)-6-bromanyl-2,2,3a-trimethyl-7a-oxidanyl-1,3-dihydroindene-5-carboxylate Openeye Name: ethyl (3aR,7aS)-6-bromo-7a-hydroxy-2,2,3a-trimethyl-1,3-dihydroindene-5-carboxylate CAS Name: (3aR,7aS)-6-bromo-7a-hydroxy-2,2,3a-trimethyl-1,3-dihydroindene-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-6-bromo-7a-hydroxy-2,2,3a-trimethyl-1,3-dihydroindene-5-carboxylate Traditional Name: (3aR,7aS)-6-bromo-7a-hydroxy-2,2,3a-trimethyl-1,3-dihydroindene-5-carboxylic acid ethyl ester Formula: C15H21BrO3 MolecularWeight: 329.22944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2(CC(CC2(C=C1Br)O)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C[C@]2(CC(C[C@@]2(C=C1Br)O)(C)C)C

InChI

InChI=1S/C15H21BrO3/c1-5-19-12(17)10-6-14(4)8-13(2,3)9-15(14,18)7-11(10)16/h6-7,18H,5,8-9H2,1-4H3/t14-,15+/m0/s1