(2S,3R,3aR)-2-bromanyl-3a,6-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydroazulen-1-one

Systemtic Name: (2S,3R,3aR)-2-bromanyl-3a,6-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydroazulen-1-one Openeye Name: (2S,3R,3aR)-2-bromo-3-isopropyl-3a,6-dimethyl-2,3,4,5-tetrahydroazulen-1-one CAS Name: (2S,3R,3aR)-2-bromo-3a,6-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydroazulen-1-one IUPAC Name: (2S,3R,3aR)-2-bromo-3a,6-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydroazulen-1-one Traditional Name: (2S,3R,3aR)-2-bromo-3-isopropyl-3a,6-dimethyl-2,3,4,5-tetrahydroazulen-1-one Formula: C15H21BrO MolecularWeight: 297.23064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=O)C(C(C2(CC1)C)C(C)C)Br

Isomeric SMILES

CC1=CC=C2C(=O)[C@H]([C@@H]([C@]2(CC1)C)C(C)C)Br

InChI

InChI=1S/C15H21BrO/c1-9(2)12-13(16)14(17)11-6-5-10(3)7-8-15(11,12)4/h5-6,9,12-13H,7-8H2,1-4H3/t12-,13-,15-/m0/s1