(3aS,6aS)-3a-but-3-enyl-6a-iodanyl-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one

Systemtic Name: (3aS,6aS)-3a-but-3-enyl-6a-iodanyl-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one Openeye Name: (3aS,6aS)-3a-but-3-enyl-6a-iodo-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one CAS Name: (3aS,6aS)-3a-but-3-enyl-6a-iodo-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one IUPAC Name: (3aS,6aS)-3a-but-3-enyl-6a-iodo-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one Traditional Name: (3aS,6aS)-3a-but-3-enyl-6a-iodo-3,3-dimethyl-2,4,5,6-tetrahydropentalen-1-one Formula: C14H21IO MolecularWeight: 332.22041

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2(C1(CCC2)CCC=C)I)C

Isomeric SMILES

CC1(CC(=O)[C@]2([C@@]1(CCC2)CCC=C)I)C

InChI

InChI=1S/C14H21IO/c1-4-5-7-13-8-6-9-14(13,15)11(16)10-12(13,2)3/h4H,1,5-10H2,2-3H3/t13-,14-/m1/s1