(3aR,4R,6aR)-3a-(3-iodanylpropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one

Systemtic Name: (3aR,4R,6aR)-3a-(3-iodanylpropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one Openeye Name: (3aR,4R,6aR)-3a-(3-iodopropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one CAS Name: (3aR,4R,6aR)-3a-(3-iodopropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one IUPAC Name: (3aR,4R,6aR)-3a-(3-iodopropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one Traditional Name: (3aR,4R,6aR)-3a-(3-iodopropyl)-3,4,6a-trimethyl-5,6-dihydro-4H-pentalen-1-one Formula: C14H21IO MolecularWeight: 332.22041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C1(C(=CC2=O)C)CCCI)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21IO/c1-10-5-7-13(3)12(16)9-11(2)14(10,13)6-4-8-15/h9-10H,4-8H2,1-3H3/t10-,13+,14-/m1/s1