(3S,4R)-3-[(E)-4-iodanyl-3-methyl-but-3-enyl]-3,4-dimethyl-cyclohexene-1-carbaldehyde

Systemtic Name: (3S,4R)-3-[(E)-4-iodanyl-3-methyl-but-3-enyl]-3,4-dimethyl-cyclohexene-1-carbaldehyde Openeye Name: (3S,4R)-3-[(E)-4-iodo-3-methyl-but-3-enyl]-3,4-dimethyl-cyclohexene-1-carbaldehyde CAS Name: (3S,4R)-3-[(E)-4-iodo-3-methylbut-3-enyl]-3,4-dimethyl-1-cyclohexenecarboxaldehyde IUPAC Name: (3S,4R)-3-[(E)-4-iodo-3-methylbut-3-enyl]-3,4-dimethylcyclohexene-1-carbaldehyde Traditional Name: (3S,4R)-3-[(E)-4-iodo-3-methyl-but-3-enyl]-3,4-dimethyl-cyclohexene-1-carbaldehyde Formula: C14H21IO MolecularWeight: 332.22041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=CC1(C)CCC(=CI)C)C=O

Isomeric SMILES

C[C@@H]1CCC(=C[C@@]1(C)CC/C(=C/I)/C)C=O

InChI

InChI=1S/C14H21IO/c1-11(9-15)6-7-14(3)8-13(10-16)5-4-12(14)2/h8-10,12H,4-7H2,1-3H3/b11-9+/t12-,14-/m1/s1